data_5vey_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 5vey _Structure_validation_residue.Date_analyzed 2017-05-12 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 full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.93 -41.88 98.45 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.354 0.409 . . . . 0.0 110.417 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -92.74 177.31 6.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.132 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.9 t -119.17 81.9 1.78 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.222 0.534 . . . . 0.0 110.588 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -100.24 7.47 44.43 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.261 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.4 p -58.95 -42.14 89.11 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 120.973 0.416 . . . . 0.0 110.399 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.77 -41.98 85.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -64.24 -43.66 94.22 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.133 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.5 p -64.09 -37.23 79.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -58.01 -42.35 85.06 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.107 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.68 -42.98 99.67 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.501 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.0 t -59.75 -43.61 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.122 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.9 tp -60.63 -36.95 79.9 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -66.08 -40.16 90.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.82 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -35.79 54.78 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.938 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 p -77.94 -28.61 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.692 -178.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.05 89.7 0.23 Allowed Pre-proline 0 CA--C 1.552 1.03 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.426 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -54.27 -37.38 88.26 Favored 'Trans proline' 0 N--CA 1.505 2.151 0 C-N-CA 122.574 2.182 . . . . 0.0 113.039 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.54 -51.2 70.44 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.0 p -74.45 135.68 42.31 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.212 0.32 . . . . 0.0 110.936 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.24 177.5 18.13 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 tt -133.58 137.62 52.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.809 0.338 . . . . 0.0 110.325 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.1 t -75.62 153.62 37.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.215 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.1 p -60.62 -33.32 72.6 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 121.591 -0.693 . . . . 0.0 110.585 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -67.39 -40.34 85.64 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 122.534 0.334 . . . . 0.0 110.49 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.23 -37.04 85.69 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.0 mtp -63.1 -42.55 99.62 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.943 0.402 . . . . 0.0 110.419 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.87 -38.71 96.99 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.947 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.16 -42.44 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.2 mmm -62.01 -36.23 80.92 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.246 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -61.74 -42.55 99.11 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.134 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.4 p -65.51 -33.84 76.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.405 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.81 -44.32 97.09 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.48 -44.41 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -62.92 -41.7 99.55 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.274 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.58 -45.0 88.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.474 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.74 -42.68 95.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.855 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.45 -45.43 88.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -63.11 -45.58 91.35 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -64.6 -46.19 83.71 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.21 0.319 . . . . 0.0 111.683 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.4 mt -66.92 -43.2 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 O-C-N 123.272 0.358 . . . . 0.0 110.27 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.84 -47.97 81.12 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.387 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.09 96.33 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -67.82 -41.68 82.67 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.48 95.11 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.377 0.423 . . . . 0.0 110.545 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.3 p -61.07 -41.46 96.67 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.403 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -62.22 -41.99 98.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.502 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.86 -38.69 92.03 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.775 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.52 89.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.457 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -65.16 -42.54 93.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.339 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -60.96 -40.65 94.19 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.462 0.476 . . . . 0.0 109.967 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -85.96 -1.7 57.57 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.974 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 58.39 29.79 18.7 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.751 0.31 . . . . 0.0 111.228 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -108.65 114.84 28.98 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.5 m -64.4 -41.31 96.72 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 m -81.87 128.43 34.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.781 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 77.0 mt -87.3 134.09 28.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.0 p -127.58 175.3 8.37 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.93 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -56.64 -33.62 66.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.938 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -60.1 -44.56 94.75 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -66.18 -42.12 89.32 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.114 0.259 . . . . 0.0 110.701 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.3 mt -64.8 -42.37 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.223 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -55.22 -44.36 75.35 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.135 0.272 . . . . 0.0 111.229 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.7 m -63.49 -45.06 92.47 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.272 0.358 . . . . 0.0 110.521 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.03 89.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.843 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.9 t -62.32 -45.29 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.486 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -64.28 -38.11 89.88 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.254 0.346 . . . . 0.0 111.466 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.78 -33.56 75.06 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.338 0.399 . . . . 0.0 111.989 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.1 mt -86.96 -36.81 18.09 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.6 mp -90.39 138.27 27.1 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 8.4 Cg_endo -52.67 -175.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.503 2.074 0 C-N-CA 122.474 2.116 . . . . 0.0 111.721 178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.09 -49.53 61.76 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 116.458 -0.337 . . . . 0.0 113.438 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -67.03 -46.63 73.87 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.917 0.359 . . . . 0.0 111.667 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.6 -38.64 90.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.222 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.08 -43.18 99.27 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.595 -179.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -62.28 -46.89 86.73 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.214 0.321 . . . . 0.0 110.682 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -66.35 -35.95 81.65 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.534 0.521 . . . . 0.0 110.941 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.68 78.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.305 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.83 -44.09 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.556 -179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.9 m -65.33 -37.39 86.93 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.8 -49.11 69.46 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.89 0.876 . . . . 0.0 111.817 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.47 -42.33 56.16 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.9 m -61.31 -47.54 85.48 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 121.363 -0.135 . . . . 0.0 110.706 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.38 -37.83 88.81 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.434 0.459 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.98 96.46 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.6 t -67.56 -44.06 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 m -61.42 -44.79 96.52 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.158 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -61.34 -42.58 98.92 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.401 ' CZ ' ' HD3' ' A' ' 109' ' ' ARG . 38.6 t80 -60.85 -45.47 94.37 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.7 p -69.32 -33.51 73.27 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.565 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.5 t -66.18 -43.53 86.59 Favored 'General case' 0 CA--C 1.496 -1.097 0 C-N-CA 126.754 2.021 . . . . 0.0 110.198 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.6 m -59.95 134.86 57.44 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 122.354 0.262 . . . . 0.0 110.845 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.52 -58.56 1.88 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.685 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.2 m -96.98 114.2 25.8 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.714 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 178.97 118.01 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.357 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -93.83 -12.28 29.36 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.707 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 34.5 m -100.37 130.87 46.53 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -64.12 -43.84 94.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.488 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.7 p -65.22 -43.44 91.51 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 t -66.23 -40.93 90.61 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.401 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 71.6 ttt180 -66.12 -35.32 80.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.691 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.57 -31.74 32.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.273 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.61 29.51 43.36 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -104.75 136.11 44.88 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.483 0.182 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.07 -45.11 93.71 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.517 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -66.57 142.58 97.71 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.744 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.85 101.88 0.16 Allowed 'Trans proline' 0 N--CA 1.501 1.95 0 C-N-CA 122.247 1.965 . . . . 0.0 111.858 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.39 -43.89 98.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.21 -39.56 96.12 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -63.16 -39.81 95.74 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.93 -45.17 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.36 -42.04 86.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -66.13 -39.6 89.99 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.437 0.461 . . . . 0.0 111.184 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.95 -40.0 94.05 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.391 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.72 -44.43 96.93 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.255 0.347 . . . . 0.0 110.82 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -69.8 -39.3 76.66 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.933 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.47 -38.43 91.12 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.74 -8.38 20.91 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 59.4 25.28 13.98 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.976 0.388 . . . . 0.0 111.489 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -68.91 -40.64 79.01 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.322 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 98.9 p -144.93 154.84 43.02 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.707 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.29 -38.72 88.41 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.19 147.07 51.0 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.94 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.55 134.49 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.6 177.15 53.16 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -92.2 -37.97 12.4 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.914 0.388 . . . . 0.0 110.909 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.97 -22.03 73.8 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.826 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -71.03 -59.02 3.68 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.207 -179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -55.01 -37.56 93.77 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 121.785 1.657 . . . . 0.0 110.93 178.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.1 t -65.32 -44.88 94.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.15 -49.03 77.49 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.266 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.49 -40.96 98.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.636 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.0 88.83 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.726 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.43 93.92 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.484 0.49 . . . . 0.0 110.594 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 83.7 t -64.92 -43.62 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 O-C-N 123.38 0.425 . . . . 0.0 110.167 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.74 -42.47 99.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.088 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -63.41 -39.53 94.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.255 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -62.6 -46.15 89.6 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.3 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.67 -40.57 97.49 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.5 m -61.72 -45.13 95.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.698 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.14 84.77 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.686 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -63.83 -43.16 97.03 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.323 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.4 -43.31 97.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 123.319 0.387 . . . . 0.0 110.023 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.33 -40.45 97.34 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.745 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -45.6 85.46 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.186 0.304 . . . . 0.0 110.497 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 58.1 mt -63.16 -40.8 98.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.26 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.81 84.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.349 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.7 98.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -61.97 -43.88 97.92 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.415 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.04 -40.04 90.65 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.098 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.21 86.97 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.026 179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -61.35 -38.71 87.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.242 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.68 -34.34 77.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -90.96 11.96 21.15 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.825 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 57.23 36.88 27.94 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.055 0.455 . . . . 0.0 111.401 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -127.8 136.0 50.87 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.574 179.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 22.0 p -88.78 -29.82 19.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.277 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -82.29 146.04 29.65 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.183 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 69.5 mt -100.11 128.21 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.57 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 20.8 pt -123.41 164.67 26.77 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.01 -33.77 35.56 Favored 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 122.263 1.975 . . . . 0.0 112.279 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -62.9 -42.0 99.63 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -66.69 -42.15 86.92 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.422 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.3 -44.8 95.66 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.957 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.33 -39.81 85.88 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.223 0.327 . . . . 0.0 110.775 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.87 -42.34 98.94 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.655 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.43 97.82 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.34 0.4 . . . . 0.0 111.27 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 41.5 mm -64.49 -43.27 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.112 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -74.23 -17.15 60.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.962 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.7 -18.37 56.68 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -126.8 129.69 48.82 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.03 -31.12 71.45 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 123.392 0.432 . . . . 0.0 111.727 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -57.87 -50.96 71.56 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.568 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 44.2 mt -70.02 -34.99 73.99 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.214 0.321 . . . . 0.0 110.455 178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -58.53 -41.76 86.26 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.396 0.435 . . . . 0.0 109.93 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -64.26 -43.18 95.66 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.48 -41.77 98.57 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 76.9 mt -100.07 19.71 15.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.116 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.32 -37.83 75.6 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -96.6 13.68 27.37 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 68.5 t -128.05 130.58 69.77 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 28.0 m -112.48 121.02 43.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.572 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 45.1 mm -62.18 -49.34 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -177.04 110.96 0.08 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -150.0 153.17 36.09 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.247 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.991 -1.45 . . . . 0.0 111.057 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.8 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -126.14 147.79 49.54 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.902 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -135.71 156.82 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 123.614 0.571 . . . . 0.0 109.858 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -110.87 127.85 55.58 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -110.04 115.76 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -104.38 151.04 23.96 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.816 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -116.66 161.7 18.8 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.552 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.37 -18.92 62.75 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.884 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.2 p -69.39 -20.94 63.81 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 118.952 -2.342 . . . . 0.0 111.576 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.6 14.88 24.33 Favored Glycine 0 C--N 1.356 1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 112.741 -172.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -100.47 151.19 21.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 117.148 0.474 . . . . 0.0 110.221 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -134.53 133.16 40.02 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.7 pt -127.4 135.03 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.419 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -84.16 141.85 30.76 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 tp -139.59 133.13 30.3 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.549 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -101.32 114.52 28.59 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.396 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 m -142.03 159.89 20.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.174 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -104.55 161.62 22.3 Favored Pre-proline 0 CA--C 1.541 0.61 0 O-C-N 123.152 0.282 . . . . 0.0 110.427 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.54 -28.03 79.18 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 122.366 2.044 . . . . 0.0 112.465 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.2 m -82.35 -10.86 58.92 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.23 139.79 57.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.599 0.238 . . . . 0.0 110.665 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 55.5 p -87.46 159.04 18.82 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.822 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.78 -42.32 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.656 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -53.98 -41.1 67.53 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.14 -40.24 95.29 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.341 0.401 . . . . 0.0 109.998 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.74 -39.02 84.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.829 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -57.06 -44.26 82.85 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.785 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.31 93.71 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.372 0.42 . . . . 0.0 110.858 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.58 -40.9 98.35 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.499 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 87.2 mt -63.29 -42.3 95.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -56.05 -37.02 68.7 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -67.54 -38.59 84.4 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.968 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -76.71 -44.22 34.31 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -89.6 -41.32 12.04 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 125.308 1.443 . . . . 0.0 114.226 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.66 21.88 52.18 Favored Glycine 0 C--N 1.352 1.456 0 C-N-CA 124.908 1.242 . . . . 0.0 111.576 -170.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -102.23 139.04 19.91 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-O 119.201 -0.428 . . . . 0.0 110.079 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -49.61 138.05 32.6 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.901 1.734 . . . . 0.0 112.06 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -65.03 -28.08 57.52 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.129 1.886 . . . . 0.0 112.578 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -69.23 -31.84 70.67 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.556 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.41 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 34.0 mt-30 -85.57 10.53 12.92 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.122 0.569 . . . . 0.0 111.449 -176.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -115.09 134.91 54.76 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 8.2 mtt180 -119.35 133.52 55.68 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.681 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 84.3 mt -111.74 132.53 54.58 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.6 mt -124.54 141.19 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 123.499 0.5 . . . . 0.0 111.002 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -123.95 123.81 41.21 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.67 30.07 14.85 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.32 13.52 81.69 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 116.421 -0.354 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.9 mtmt -110.33 134.18 52.54 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 117.126 0.463 . . . . 0.0 110.081 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -62.19 149.88 40.39 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.385 0.428 . . . . 0.0 110.111 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -116.5 136.68 52.78 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.319 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -91.23 141.06 29.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.885 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -64.01 -41.16 97.55 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.852 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.27 -12.99 76.8 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.24 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.99 154.75 19.22 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.175 0.487 . . . . 0.0 111.278 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 20.5 p -99.07 167.1 10.93 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.579 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.21 -41.03 98.01 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.686 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -57.39 -30.39 64.87 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.8 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -61.55 -35.96 79.24 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.019 0.2 . . . . 0.0 111.302 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -91.05 10.25 27.48 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.843 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.4 t30 54.38 53.92 10.17 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.188 0.518 . . . . 0.0 111.186 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -98.83 123.63 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -100.46 -174.63 2.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.686 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -59.29 148.75 30.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.243 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 58.61 81.88 0.15 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 110.023 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -128.97 153.32 47.67 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.405 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -114.87 127.22 55.58 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.295 0.372 . . . . 0.0 110.503 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 83.8 mt -122.21 136.94 54.98 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.915 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -99.51 150.2 22.45 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.235 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.06 134.46 53.6 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 14.9 t -127.73 164.75 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.4 tp -107.36 126.04 51.96 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.41 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 71.7 mtt-85 -84.15 136.96 33.77 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 72.2 mt -121.66 107.67 12.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.834 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -144.35 149.36 36.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.608 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.7 90.61 0.76 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -66.02 -45.89 79.89 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.547 0.213 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 99.4 mtp -66.66 -43.65 83.97 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 45.77 55.55 15.07 Favored Pre-proline 0 CA--C 1.562 1.404 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.507 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.88 -14.45 35.72 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.069 1.846 . . . . 0.0 112.935 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 48.2 t -61.49 -41.56 90.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 31.7 mt -60.34 -43.06 96.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.881 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.79 -40.64 92.13 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.159 0.287 . . . . 0.0 110.613 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.61 -39.04 84.76 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 73.5 mtm -64.09 -39.21 93.57 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.977 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.64 -44.93 92.42 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.246 0.342 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -68.75 -44.23 74.18 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.988 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.08 -37.85 88.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.73 -40.64 97.85 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.239 0.337 . . . . 0.0 110.922 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -62.4 -43.17 99.45 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.205 0.316 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -72.61 -36.52 68.11 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.01 -45.24 86.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.084 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.13 -33.01 75.01 Favored 'General case' 0 CA--C 1.521 -0.135 0 O-C-N 123.619 0.574 . . . . 0.0 110.534 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -61.42 -46.39 90.33 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -68.17 -40.73 82.2 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -64.12 -40.1 95.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.483 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.54 -45.41 87.27 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.98 -42.82 94.2 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -61.04 -38.81 87.47 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.457 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.87 -39.31 91.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.722 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.56 -43.04 99.81 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.096 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.76 -41.12 98.05 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.26 -40.98 98.94 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.936 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -68.66 -41.79 78.83 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.41 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 73.1 mtm -63.45 -42.43 98.64 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.209 0.318 . . . . 0.0 111.024 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -62.49 -40.93 98.29 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.489 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.73 -34.0 76.87 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 123.467 0.479 . . . . 0.0 110.269 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.27 -38.96 91.32 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.389 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -54.86 -35.17 63.75 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.342 0.401 . . . . 0.0 110.451 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' C' ' 685' ' ' ARG . 60.6 mtp85 -60.19 -18.84 51.05 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.313 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' C' ' 684' ' ' ARG . 93.3 mtt-85 84.53 -18.58 0.4 Allowed 'General case' 0 N--CA 1.502 2.141 0 C-N-CA 124.046 0.938 . . . . 0.0 111.119 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 35.6 m -95.88 117.01 29.77 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.081 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.68 132.23 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.789 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 11.5 p -101.03 144.37 30.03 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.353 0.408 . . . . 0.0 110.965 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -78.77 -47.55 16.54 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.487 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -148.23 120.22 8.22 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.443 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -133.14 144.51 49.95 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -167.24 127.15 1.53 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 38.2 t -157.39 154.28 28.63 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.548 0.213 . . . . 0.0 110.56 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.74 127.99 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.662 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -109.28 110.01 21.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.092 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -141.72 165.54 27.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.125 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -68.59 137.93 54.67 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.442 0.464 . . . . 0.0 109.936 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.83 143.87 45.74 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.795 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 74.0 mt -129.38 152.94 48.38 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.3 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -60.18 -43.6 95.74 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.731 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 27.9 t -117.47 141.1 48.74 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.752 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 44.6 t -144.44 140.45 28.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.67 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -119.66 105.41 11.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.611 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 96.2 mmm -64.34 -39.66 94.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.579 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -65.34 144.15 57.29 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.501 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 110.36 -8.36 30.68 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.907 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . 67.22 -74.48 0.07 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 117.387 0.593 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.392 -179.532 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -98.26 155.56 17.13 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -88.79 130.22 35.41 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.811 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -79.93 105.27 11.08 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.281 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -96.93 18.49 14.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.134 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.1 m -58.52 -42.4 87.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.646 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.9 mt -68.18 -42.25 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.601 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -63.96 -43.41 95.86 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.927 -0.578 . . . . 0.0 112.01 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.7 p -64.61 -35.78 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -56.59 -43.35 79.99 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.257 0.348 . . . . 0.0 110.234 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -60.23 -43.59 95.92 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.48 0.487 . . . . 0.0 109.926 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 77.8 t -64.71 -41.8 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.9 tp -59.75 -36.6 76.96 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.653 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.93 -37.03 85.92 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.489 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -38.26 26.5 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -178.158 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 p -80.16 -32.9 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.653 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -163.62 80.86 1.51 Allowed Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.197 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.98 -33.38 42.16 Favored 'Trans proline' 0 N--CA 1.504 2.112 0 C-N-CA 122.229 1.953 . . . . 0.0 112.762 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.63 -38.93 87.96 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.407 0.442 . . . . 0.0 111.791 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 m -91.93 131.88 36.92 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.514 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.41 177.31 30.84 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.3 tt -130.41 138.48 53.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.924 0.393 . . . . 0.0 110.067 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.3 p -75.53 157.04 34.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.196 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m -61.32 -34.57 75.46 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 123.651 0.78 . . . . 0.0 109.969 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.7 -41.08 88.6 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.294 0.638 . . . . 0.0 110.411 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.77 78.37 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 mtt -62.89 -42.93 99.95 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.343 0.402 . . . . 0.0 110.519 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.96 99.32 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.491 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.74 -44.13 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.2 mtp -64.71 -38.69 91.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.031 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.36 -42.35 98.89 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.153 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 82.9 p -68.04 -36.55 80.08 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.458 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -61.52 -44.28 97.35 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.735 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.52 -45.29 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -63.47 -40.67 97.73 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.322 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -59.42 -46.59 88.29 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.506 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.55 -40.06 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.24 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -56.62 -46.33 81.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.23 -40.62 94.32 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.276 0.36 . . . . 0.0 111.88 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.99 -46.34 81.85 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.21 0.319 . . . . 0.0 111.712 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.4 mt -66.26 -42.89 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.37 93.97 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.327 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.58 -45.41 93.1 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.534 -0.627 . . . . 0.0 111.534 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -65.89 -40.02 91.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.27 -40.42 93.88 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.338 0.399 . . . . 0.0 110.397 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -61.8 -42.82 99.5 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.282 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -61.16 -41.93 97.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.324 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.89 -41.59 97.67 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.496 0.498 . . . . 0.0 110.596 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.35 97.63 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -64.74 -43.51 93.12 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.972 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -62.11 -40.12 94.81 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.064 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -88.57 3.56 49.97 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 53.22 34.72 18.22 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.83 0.347 . . . . 0.0 111.344 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -89.77 122.92 33.31 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.458 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.7 p -69.56 -33.5 72.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.319 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -117.63 131.28 56.68 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.956 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.0 mt -81.61 133.83 28.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.5 p -125.53 178.02 5.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.049 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.7 p -56.19 -32.64 64.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.831 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -61.18 -43.86 98.21 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.147 0.279 . . . . 0.0 110.976 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -65.65 -43.09 90.48 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.136 0.273 . . . . 0.0 110.469 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.9 mt -65.27 -41.56 91.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.891 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -54.35 -45.45 72.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.627 -178.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.2 m -64.06 -43.4 95.58 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.224 0.328 . . . . 0.0 110.719 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.65 94.85 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.858 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.78 -43.69 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.432 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -61.5 -38.93 89.11 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.282 0.364 . . . . 0.0 111.21 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.1 mt -77.82 -31.05 51.43 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.8 mt -81.26 -36.54 29.8 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.9 149.31 35.59 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -56.71 168.21 2.45 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.385 2.057 . . . . 0.0 111.697 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.17 87.34 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 116.415 -0.357 . . . . 0.0 112.837 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -65.12 -45.85 83.4 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.864 0.332 . . . . 0.0 111.525 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.67 -36.69 85.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.371 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.58 -39.89 81.64 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.328 -178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.04 -45.82 91.55 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.139 0.274 . . . . 0.0 110.759 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -70.58 -36.22 73.46 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.31 0.381 . . . . 0.0 111.351 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.99 78.64 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.26 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 87.9 t -61.07 -43.43 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 123.275 0.359 . . . . 0.0 110.106 -179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.9 m -59.74 -47.97 83.54 Favored 'General case' 0 N--CA 1.428 -1.561 0 O-C-N 123.987 0.805 . . . . 0.0 109.012 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -62.88 -45.99 89.97 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.335 1.454 . . . . 0.0 111.824 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.43 -46.76 54.66 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.1 m -63.4 -45.64 90.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.632 0.253 . . . . 0.0 110.697 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.89 -37.4 84.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.825 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.84 98.08 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.198 0.311 . . . . 0.0 110.404 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.4 -45.76 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.2 p -65.56 -40.24 92.6 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.3 -36.44 80.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.41 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.06 -49.68 76.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.8 m -70.93 -41.16 71.54 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.211 0.319 . . . . 0.0 111.699 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 p -76.87 -15.33 59.73 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 124.789 1.236 . . . . 0.0 111.504 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.7 t -51.53 -67.42 0.25 Allowed 'General case' 0 C--N 1.357 0.926 0 C-N-CA 123.427 0.691 . . . . 0.0 110.577 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.96 27.05 0.24 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.866 0.365 . . . . 0.0 111.171 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -149.66 21.43 0.91 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.321 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -136.92 151.5 49.13 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.296 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -101.14 -45.73 5.28 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.061 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.4 p -82.48 163.15 21.78 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -66.33 -43.97 84.66 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.837 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.1 m -63.26 -41.85 99.09 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 39.8 p -62.48 -40.98 98.43 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.229 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 77.5 mtp85 -65.92 -35.45 80.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.797 179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.32 -26.66 35.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.37 33.98 61.04 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.8 mt -108.22 134.22 51.37 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.61 0.243 . . . . 0.0 110.406 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -62.19 -44.07 97.41 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -63.42 141.33 97.84 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.756 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.74 101.71 0.33 Allowed 'Trans proline' 0 N--CA 1.502 1.993 0 C-N-CA 122.144 1.896 . . . . 0.0 112.033 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.13 -43.47 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.235 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.92 -41.21 83.78 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.82 -35.48 80.81 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.509 0.155 . . . . 0.0 111.283 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.57 -44.8 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -60.2 -41.91 93.98 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.33 0.394 . . . . 0.0 110.766 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -66.41 -41.05 89.85 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.12 -41.27 96.41 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.598 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.69 -44.92 95.94 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.172 0.295 . . . . 0.0 110.692 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -67.96 -41.57 82.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.244 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.72 -40.71 98.03 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.489 0.493 . . . . 0.0 110.561 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.77 -4.07 31.36 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 121.31 -0.472 . . . . 0.0 111.968 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 63.6 t30 57.99 31.14 20.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.906 0.353 . . . . 0.0 111.5 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -64.9 -40.41 95.04 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.395 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.8 p -150.6 163.43 38.52 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.665 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.91 -40.12 91.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 63.1 ttp85 -137.88 148.29 45.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.4 t -125.71 137.34 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -79.03 -177.95 50.32 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -93.73 -40.78 10.04 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.48 91.5 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.713 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.79 -60.06 11.82 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.654 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_exo -53.72 -38.93 85.17 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.787 1.658 . . . . 0.0 111.411 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.1 t -64.73 -44.15 96.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -60.85 -48.39 82.03 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.824 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.66 -41.75 99.23 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.775 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.43 89.06 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.475 0.485 . . . . 0.0 111.072 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.64 90.65 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.318 0.386 . . . . 0.0 111.307 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 92.9 t -62.16 -44.92 99.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.268 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.32 -41.87 98.9 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.418 0.449 . . . . 0.0 110.812 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -61.19 -38.9 88.19 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.344 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -60.6 -48.54 81.33 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.401 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.76 -42.01 98.43 Favored 'General case' 0 C--N 1.334 -0.083 0 O-C-N 123.492 0.495 . . . . 0.0 110.932 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 19.8 m -59.64 -44.03 93.64 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.364 0.415 . . . . 0.0 110.919 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.19 97.06 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.385 0.428 . . . . 0.0 111.543 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -70.08 -37.63 75.49 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.254 0.346 . . . . 0.0 111.364 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 16.2 mm -61.11 -45.22 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 89.1 mt -69.0 -39.76 79.14 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.389 0.431 . . . . 0.0 111.917 -179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.69 -48.69 78.16 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.179 0.3 . . . . 0.0 110.757 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 79.3 mt -64.62 -41.55 96.1 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.333 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.75 88.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.366 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -59.48 -41.54 97.18 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.31 -42.78 99.66 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.71 -38.58 91.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.039 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.12 98.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.99 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -63.0 -38.09 89.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.203 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -63.8 -33.73 76.34 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -89.84 9.71 26.46 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.69 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 57.31 34.34 24.59 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.872 0.368 . . . . 0.0 111.337 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -115.03 151.04 34.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 21.6 p -108.61 16.63 22.76 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.265 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -129.48 153.0 48.41 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.729 0.3 . . . . 0.0 110.727 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 67.7 mt -103.94 118.24 50.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 24.3 pt -119.39 166.46 14.5 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.166 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_exo -51.46 -36.48 59.03 Favored 'Trans proline' 0 N--CA 1.5 1.902 0 C-N-CA 122.232 1.954 . . . . 0.0 112.266 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -61.09 -42.36 98.38 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -66.38 -41.28 89.63 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.461 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.72 -44.15 97.47 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.464 0.478 . . . . 0.0 111.066 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -67.56 -42.17 83.04 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.204 0.315 . . . . 0.0 110.66 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.17 -43.77 98.09 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.898 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.46 90.92 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.79 -43.6 96.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.007 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -61.59 -31.94 72.03 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.398 0.437 . . . . 0.0 111.213 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.68 -15.76 60.27 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.196 0.31 . . . . 0.0 111.573 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -110.95 114.96 28.67 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.38 -37.51 85.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.566 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -63.31 -47.06 83.86 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.368 0.418 . . . . 0.0 111.093 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 68.5 mt -64.47 -39.16 93.29 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.228 0.33 . . . . 0.0 110.42 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -61.56 -41.75 97.83 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.245 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -63.68 -44.66 93.08 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.103 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.5 tp -64.68 -41.43 96.06 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.443 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 80.5 mt -98.58 20.75 12.3 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.157 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.23 -34.26 62.54 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.25 4.38 52.41 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 87.9 t -124.32 128.33 73.71 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 7.5 t -124.23 139.06 54.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.656 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 63.2 mt -120.43 128.83 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -142.35 176.39 9.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.578 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -57.3 121.96 11.4 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.14 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.704 0 CA-C-O 117.975 -1.458 . . . . 0.0 111.043 -179.773 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.1 ptt? . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -104.89 141.5 36.42 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.959 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.7 pt -131.75 156.59 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 123.642 0.589 . . . . 0.0 109.871 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -108.05 143.24 37.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.809 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -121.36 128.47 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -115.81 149.64 38.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.223 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 70.5 p -120.59 161.19 21.76 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.241 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.37 -19.27 65.37 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 46.6 p -69.9 -24.1 63.35 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 119.973 -1.704 . . . . 0.0 111.281 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.28 7.93 34.24 Favored Glycine 0 C--N 1.357 1.712 0 CA-C-N 119.329 0.968 . . . . 0.0 112.656 -174.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -86.75 152.62 22.36 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 117.208 0.504 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.9 m -133.26 126.3 31.18 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.23 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 pt -128.02 134.0 66.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -85.56 142.03 29.43 Favored 'General case' 0 N--CA 1.432 -1.341 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -137.6 140.83 41.18 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 122.062 -0.399 . . . . 0.0 110.782 -179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -111.88 117.14 31.95 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.338 0.399 . . . . 0.0 110.068 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.56 162.31 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.212 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -99.35 153.84 37.58 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.84 -36.07 98.59 Favored 'Trans proline' 0 N--CA 1.503 2.05 0 C-N-CA 122.311 2.007 . . . . 0.0 112.306 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 98.5 p -78.79 -12.42 60.02 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -65.95 139.42 58.25 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.703 0.287 . . . . 0.0 110.377 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 17.9 p -77.58 159.75 29.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.84 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -62.51 -42.21 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.887 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -55.28 -39.63 70.07 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -64.33 -39.72 94.47 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.45 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.24 -44.14 97.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.694 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.29 -37.32 80.15 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.377 0.423 . . . . 0.0 111.143 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.99 97.14 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.634 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -63.47 -39.7 95.15 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.234 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.91 -41.85 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -37.58 68.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.99 -40.64 95.26 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.816 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -78.79 -42.79 26.97 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -84.92 -39.58 18.02 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 125.67 1.588 . . . . 0.0 113.561 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.09 23.01 42.67 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.134 0.874 . . . . 0.0 112.029 -170.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -107.18 136.59 19.49 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-O 119.259 -0.4 . . . . 0.0 109.987 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.76 130.64 40.04 Favored 'Trans proline' 0 N--CA 1.504 2.129 0 C-N-CA 122.222 1.948 . . . . 0.0 112.181 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.28 -29.84 54.69 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.194 1.93 . . . . 0.0 112.807 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -66.57 -34.7 78.48 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 118.032 -1.467 . . . . 0.0 108.677 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -89.12 8.48 29.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.937 -171.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -107.28 142.35 37.19 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -117.56 132.86 56.46 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.621 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 44.6 mt -110.34 136.47 49.47 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -125.44 132.74 70.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.581 -178.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -127.41 130.96 50.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.5 14.54 9.77 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.002 0.189 . . . . 0.0 111.016 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.11 0.72 86.97 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 119.785 -0.453 . . . . 0.0 112.987 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -108.72 135.91 49.16 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -55.42 151.12 10.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.648 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -107.19 153.33 22.84 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -95.91 124.33 39.87 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.008 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.42 -35.23 79.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.004 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.06 -17.05 80.29 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 116.07 -0.514 . . . . 0.0 113.405 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -91.49 162.65 14.46 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.29 0.545 . . . . 0.0 111.086 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.4 p -94.7 168.24 10.95 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.9 -41.65 99.51 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.3 p -59.22 -28.35 66.59 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.621 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.15 -36.27 74.96 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.145 0.278 . . . . 0.0 111.312 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -92.08 12.54 21.69 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 57.52 37.42 27.67 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.983 0.42 . . . . 0.0 111.353 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.3 mt -73.21 130.77 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -108.14 -177.64 3.39 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.632 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -60.56 147.15 42.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.15 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 53.76 83.65 0.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 110.378 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -129.62 142.29 50.77 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.431 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 23.9 m -99.96 123.63 44.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.547 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 83.8 mt -115.81 126.32 53.85 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.332 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -85.16 147.13 26.77 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.433 0.458 . . . . 0.0 109.831 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 24.0 tp -113.32 134.09 54.8 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.139 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.7 t -132.36 162.52 39.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.617 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.1 tp -101.86 124.01 46.76 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -87.03 134.52 33.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 43.2 mt -126.13 -4.38 6.83 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.73 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -62.13 -43.36 99.01 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 110.507 -0.182 . . . . 0.0 110.507 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.18 -176.67 26.49 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.714 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -129.43 133.71 47.47 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.588 0.232 . . . . 0.0 110.614 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 96.5 mtp -99.79 21.11 12.98 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.179 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -57.66 0.56 Allowed Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.509 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.37 -19.61 61.59 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.21 1.94 . . . . 0.0 113.146 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 50.3 t -63.41 -43.13 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 28.8 mt -61.2 -43.35 99.02 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -64.28 -39.04 93.12 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.185 0.303 . . . . 0.0 110.682 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.63 -40.33 84.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 73.4 mtm -64.1 -40.37 96.08 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.435 0.46 . . . . 0.0 110.722 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.57 -43.09 99.5 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 123.262 0.351 . . . . 0.0 110.634 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -62.37 -42.72 99.63 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.401 0.438 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.59 -42.11 98.3 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 37.2 mt -62.99 -39.55 95.09 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.428 0.455 . . . . 0.0 111.058 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.63 -41.49 97.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.786 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.96 -39.04 93.24 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.412 0.445 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.09 -45.26 89.44 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.399 0.437 . . . . 0.0 110.286 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.25 -32.59 74.1 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.473 0.483 . . . . 0.0 111.128 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -59.56 -46.52 88.65 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -35.21 80.06 Favored 'General case' 0 C--O 1.225 -0.216 0 O-C-N 123.596 0.56 . . . . 0.0 110.285 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 -65.72 -39.94 91.69 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 123.381 0.426 . . . . 0.0 111.392 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.91 -47.22 78.55 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.214 0.321 . . . . 0.0 110.439 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -68.34 -40.48 81.53 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 109.867 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.85 91.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.305 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.95 -36.59 81.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.641 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.54 -44.07 97.25 Favored 'General case' 0 C--N 1.341 0.206 0 O-C-N 123.55 0.531 . . . . 0.0 109.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.82 -42.8 97.57 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -60.37 -41.28 93.43 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.23 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -70.0 -43.53 71.19 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.34 0.4 . . . . 0.0 111.481 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 61.4 mtm -64.48 -44.73 90.07 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.324 0.39 . . . . 0.0 111.443 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -65.4 -41.7 93.4 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.05 -36.16 79.44 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.42 0.45 . . . . 0.0 110.639 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -65.5 -42.49 92.07 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.408 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -55.44 -35.03 65.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 78.8 mtm180 -60.5 -45.31 94.27 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.853 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 178.07 153.27 0.31 Allowed 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.52 0.513 . . . . 0.0 110.342 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 6.2 t -108.47 125.31 51.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.257 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.98 130.27 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.783 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 12.1 t -61.34 -42.42 98.66 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -56.32 126.0 24.37 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.2 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -102.28 -43.21 5.77 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.604 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -96.85 139.7 32.5 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.601 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 164.87 121.17 0.55 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 65.2 p -148.83 152.92 37.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.511 0.196 . . . . 0.0 110.656 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 35.5 m -136.55 161.27 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -71.23 150.78 44.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.37 -49.93 75.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.452 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -119.64 136.38 54.42 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.334 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 19.2 tp -75.31 135.89 40.88 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 78.2 mt -117.01 154.12 31.47 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.32 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -60.47 -41.07 93.42 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.965 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 93.7 p -92.01 25.47 2.82 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.006 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 15.5 p -83.43 175.9 9.48 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.977 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 56.2 t30 57.53 47.82 15.48 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.721 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 99.4 mtp -81.84 90.77 6.43 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.195 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -65.6 -36.15 82.89 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.116 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 81.4 9.81 85.38 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -144.57 147.54 33.29 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 116.872 0.336 . . . . 0.0 110.395 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 65.1 mttp . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.515 179.817 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.52 -43.71 98.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.772 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -93.33 143.77 25.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.133 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.3 m -103.39 83.58 2.19 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.428 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -93.85 13.54 22.25 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.345 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -58.0 -41.21 82.58 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 110.153 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.61 -42.51 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -62.68 -45.2 93.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.93 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -63.48 -36.74 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -56.44 -42.65 78.48 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.851 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.33 -42.75 99.63 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.229 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.84 -43.85 92.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.82 -35.68 77.13 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.865 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.03 -39.17 93.96 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -75.0 -35.67 61.99 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.496 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.67 -42.11 25.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.822 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -156.9 88.17 2.7 Favored Pre-proline 0 CA--C 1.55 0.962 0 O-C-N 123.376 0.423 . . . . 0.0 110.316 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -55.61 -37.78 94.89 Favored 'Trans proline' 0 N--CA 1.504 2.119 0 C-N-CA 122.565 2.177 . . . . 0.0 112.963 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -65.48 -40.14 92.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.5 p -69.54 134.87 49.36 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.883 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.07 166.77 12.33 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 tt -138.51 137.55 43.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.771 0.32 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.7 p -79.07 161.51 26.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.281 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -62.63 -34.16 76.49 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 123.262 0.625 . . . . 0.0 109.941 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -67.23 -42.21 84.38 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 123.224 0.61 . . . . 0.0 110.153 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.74 -35.63 81.22 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.2 mtp -62.47 -40.57 97.08 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.96 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.61 -36.96 94.03 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.6 mm -61.23 -43.93 97.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.16 -37.08 86.17 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.633 0.583 . . . . 0.0 110.297 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -60.72 -42.75 97.92 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.402 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -62.57 -37.18 85.16 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.484 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -61.64 -45.3 94.62 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.5 t -61.82 -44.96 99.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 123.405 0.44 . . . . 0.0 109.873 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -63.13 -41.14 99.25 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.293 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.78 -44.55 89.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.497 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.2 mm -65.37 -42.54 93.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.965 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -57.61 -47.14 83.01 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -65.32 -44.27 88.36 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.74 -48.64 76.19 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.271 0.357 . . . . 0.0 111.668 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.21 -42.98 95.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 123.347 0.405 . . . . 0.0 109.94 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.7 81.21 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.224 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.17 -41.1 97.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -66.44 -42.41 87.7 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.98 91.99 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.449 0.468 . . . . 0.0 110.659 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -61.99 -43.31 99.11 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.464 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -62.99 -40.01 96.47 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.47 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.99 -40.4 97.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.706 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.58 -38.34 87.18 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.362 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -64.99 -42.06 94.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.243 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -61.88 -42.4 99.02 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.88 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -89.86 2.44 54.99 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.864 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.1 tttt 53.18 30.24 9.54 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.698 0.285 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -84.25 121.69 27.85 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.4 p -66.48 -38.26 86.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.416 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -109.57 129.49 55.57 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.971 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.4 mt -77.87 136.62 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.4 p -124.18 176.19 6.56 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.14 0.495 . . . . 0.0 111.562 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.9 m -57.87 -33.03 68.25 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.677 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.34 -41.06 92.81 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.227 0.33 . . . . 0.0 111.005 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -66.48 -43.92 84.12 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.273 0.358 . . . . 0.0 110.337 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.68 -42.49 95.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.026 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -56.74 -43.36 80.62 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.963 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -62.92 -45.21 93.55 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.211 0.319 . . . . 0.0 110.385 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.8 92.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.707 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.6 t -63.67 -45.24 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -63.69 -39.26 93.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.159 0.287 . . . . 0.0 111.542 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.0 mt -71.67 -33.35 68.78 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.7 mt -85.03 -36.56 21.18 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.8 mp -95.3 140.32 22.35 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.24 -179.88 0.07 OUTLIER 'Trans proline' 0 N--CA 1.505 2.151 0 C-N-CA 122.477 2.118 . . . . 0.0 111.669 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.46 -47.31 88.48 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.979 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.24 -48.51 75.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.7 0.25 . . . . 0.0 111.578 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -66.6 -40.39 88.82 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.343 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.43 91.66 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 123.381 0.426 . . . . 0.0 111.576 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.26 -45.76 92.15 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.234 0.334 . . . . 0.0 110.691 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -68.69 -37.56 79.66 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.456 0.473 . . . . 0.0 111.241 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.19 90.44 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.9 t -62.85 -43.24 98.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 O-C-N 123.337 0.398 . . . . 0.0 110.206 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.1 t -62.89 -49.16 75.92 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.79 -45.99 80.35 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 123.664 0.785 . . . . 0.0 112.279 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.61 -47.2 50.92 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.637 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.1 m -63.88 -48.57 76.16 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.435 0.16 . . . . 0.0 111.118 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -66.11 -34.6 78.41 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.204 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.1 -42.01 84.76 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 99.7 t -65.82 -45.38 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.1 m -61.29 -41.99 97.9 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.142 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.42 -41.34 93.74 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.31 -45.48 93.02 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.6 p -68.35 -35.2 77.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.234 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.5 m -72.82 -53.12 12.35 Favored 'General case' 0 CA--C 1.497 -1.078 0 O-C-N 119.677 -1.89 . . . . 0.0 111.715 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -62.73 138.57 58.54 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 120.692 0.282 . . . . 0.0 110.979 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.61 -29.59 1.52 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.774 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.2 p -63.13 -33.26 75.08 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.592 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -65.77 132.02 47.7 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.091 179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -99.74 -13.23 19.38 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.514 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.4 m -103.48 148.0 26.47 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.316 0.246 . . . . 0.0 110.429 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.28 -42.29 99.08 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.985 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.0 p -68.63 -36.83 79.14 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.0 m -63.1 -41.03 99.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 82.8 mtt85 -64.34 -34.8 78.99 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.607 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.49 -26.84 29.86 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.387 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.04 40.48 72.74 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.0 mt -117.2 136.93 52.69 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -62.95 -42.8 99.93 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.359 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -63.71 143.14 98.06 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.99 102.63 0.55 Allowed 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.191 1.927 . . . . 0.0 112.157 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.1 -42.05 94.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.381 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.35 -42.46 95.63 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.87 -36.51 84.57 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.544 0.172 . . . . 0.0 111.38 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.2 t -59.39 -44.05 91.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -59.88 -46.4 89.45 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.293 0.371 . . . . 0.0 111.019 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -64.19 -38.42 91.0 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.804 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.79 -41.83 98.23 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.572 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.27 -44.55 97.05 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.27 0.356 . . . . 0.0 110.831 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -65.79 -36.69 84.24 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.616 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -63.0 -40.21 97.09 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.179 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.12 -7.98 15.52 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 57.07 29.63 16.84 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.961 0.381 . . . . 0.0 111.544 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -65.16 -42.9 93.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.271 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.2 p -142.21 166.14 25.5 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.18 -38.11 87.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -137.58 156.68 47.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.961 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.1 t -131.5 136.5 57.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.92 176.48 54.64 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -86.08 -42.67 13.73 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.52 -0.34 . . . . 0.0 110.701 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.75 -29.86 75.19 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 111.62 -0.592 . . . . 0.0 111.62 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.4 -61.44 7.84 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.815 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -60.05 -32.33 94.69 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 121.855 1.704 . . . . 0.0 111.81 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.58 -45.12 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.9 -47.04 86.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.096 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.16 -42.9 99.71 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.518 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.37 87.28 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.06 95.78 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.291 0.37 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.2 t -66.12 -43.46 92.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.96 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.99 -41.93 98.58 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -61.13 -43.77 98.37 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.43 0.456 . . . . 0.0 110.144 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -62.69 -46.66 87.13 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.203 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.56 -40.29 94.21 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.031 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.7 m -63.05 -45.23 93.21 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.399 0.437 . . . . 0.0 110.936 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.01 89.53 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.705 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -67.94 -42.22 81.34 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.217 0.323 . . . . 0.0 111.613 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.22 -43.41 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.094 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.95 -40.21 94.78 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.561 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -60.87 -45.76 93.27 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.219 0.324 . . . . 0.0 110.434 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.52 -39.99 94.79 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.433 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.59 -38.02 83.27 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.569 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.84 -40.44 97.3 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -61.56 -44.26 97.36 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 121.284 -0.166 . . . . 0.0 110.621 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.35 86.11 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.294 0.371 . . . . 0.0 110.145 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.08 -42.36 94.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.045 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.06 -37.97 87.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.287 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.84 -34.64 78.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.528 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -90.79 7.11 41.41 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.588 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 19.0 tttm 56.77 33.65 23.35 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.868 0.366 . . . . 0.0 111.242 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -126.61 116.74 21.49 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.649 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 41.1 p -68.96 -32.66 72.4 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.083 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -70.0 145.61 51.66 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.622 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 63.0 mt -107.94 122.46 62.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 25.4 pt -122.62 163.67 31.28 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.035 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.92 -36.81 20.91 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 C-N-CA 122.288 1.992 . . . . 0.0 112.399 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 74.3 ttp85 -62.55 -43.21 99.38 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -64.07 -45.01 90.63 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.506 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.65 -40.81 96.22 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.19 -42.85 99.41 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.351 0.407 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.59 -41.65 98.34 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.036 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -60.82 -43.95 97.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 -179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.94 -43.64 96.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.21 -32.61 73.29 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.439 0.462 . . . . 0.0 111.312 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -75.75 -11.64 60.03 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 123.269 0.356 . . . . 0.0 111.613 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -112.47 115.8 29.24 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -64.46 -36.48 84.31 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.529 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -65.16 -45.5 84.69 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.347 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.99 -38.1 85.41 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.99 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -59.24 -43.15 92.38 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -63.29 -42.58 99.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.165 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.18 -41.28 97.16 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.484 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 78.5 mt -98.76 19.26 15.15 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.093 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.98 -41.19 84.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -96.61 13.23 28.92 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 64.8 t -120.05 128.22 75.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 30.5 m -110.12 121.3 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.799 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 45.5 mm -63.24 -47.53 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.952 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . 178.52 98.46 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.714 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -146.15 156.26 43.3 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.095 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 CA-C-O 117.919 -1.489 . . . . 0.0 110.88 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -102.64 129.73 49.32 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.671 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -135.89 147.04 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 123.719 0.637 . . . . 0.0 110.063 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -107.77 141.78 38.8 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -123.27 128.59 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -114.09 151.37 32.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.36 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.7 p -119.57 162.1 19.49 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.38 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.61 -19.31 64.75 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.952 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.2 p -70.07 -24.7 63.28 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 119.708 -1.87 . . . . 0.0 111.488 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.22 15.51 19.39 Favored Glycine 0 C--N 1.357 1.736 0 O-C-N 121.001 -1.062 . . . . 0.0 112.644 -174.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -95.51 153.21 17.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 117.099 0.449 . . . . 0.0 110.112 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -127.3 130.27 49.23 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.204 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 13.4 tt -127.04 134.63 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.7 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -85.06 133.18 34.24 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 tp -143.86 138.68 28.8 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 121.903 -0.498 . . . . 0.0 110.757 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -111.45 119.56 39.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.622 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.33 161.32 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.169 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -97.99 152.07 37.87 Favored Pre-proline 0 CA--C 1.544 0.737 0 O-C-N 123.234 0.334 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.38 -31.16 84.26 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.432 2.088 . . . . 0.0 112.599 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.3 m -81.95 -12.89 58.14 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -67.24 143.83 56.28 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 120.668 0.27 . . . . 0.0 110.614 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 22.0 p -82.11 160.74 23.07 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.856 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.6 -41.69 92.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.626 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -56.16 -39.76 72.81 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.303 0.377 . . . . 0.0 110.16 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -63.47 -41.48 98.59 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.297 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 93.8 t -62.63 -46.38 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.852 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.4 -36.28 81.85 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.93 89.86 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.319 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -63.53 -40.06 96.04 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.068 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.19 -42.78 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -57.55 -36.77 72.07 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -67.43 -35.39 79.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.179 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.3 -35.39 18.47 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -92.07 -40.7 10.92 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.017 2.127 . . . . 0.0 114.747 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.63 30.36 27.14 Favored Glycine 0 C--N 1.352 1.436 0 C-N-CA 125.113 1.34 . . . . 0.0 112.141 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.1 mt -113.01 123.42 33.64 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-O 119.086 -0.483 . . . . 0.0 109.756 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -44.7 133.77 10.2 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.036 1.824 . . . . 0.0 112.36 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.75 -29.11 51.26 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.184 1.923 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -67.83 -31.38 71.18 Favored 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 120.181 -1.574 . . . . 0.0 109.133 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -83.96 10.76 9.06 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 122.046 -0.409 . . . . 0.0 111.545 -175.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -128.22 139.52 52.41 Favored 'General case' 0 C--N 1.346 0.435 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -117.69 136.03 53.62 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.703 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -103.69 130.45 51.17 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 87.0 mt -116.99 133.66 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.053 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -126.61 124.58 40.24 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.85 27.75 17.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.399 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.89 14.96 78.66 Favored Glycine 0 CA--C 1.537 1.408 0 N-CA-C 112.105 -0.398 . . . . 0.0 112.105 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -117.28 130.74 56.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 117.166 0.483 . . . . 0.0 110.031 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -68.58 159.24 32.32 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.503 0.502 . . . . 0.0 110.054 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 78.8 mt -122.65 138.99 54.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -88.2 144.85 26.21 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.591 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -65.53 -25.65 67.54 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.079 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.51 -1.64 85.59 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-O 119.791 -0.449 . . . . 0.0 113.17 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -103.56 161.54 13.8 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 117.363 0.581 . . . . 0.0 111.04 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -103.29 164.58 11.55 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.665 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.0 -42.44 99.85 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.234 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.0 m -59.06 -29.22 67.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.606 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.7 -37.82 76.95 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.085 0.241 . . . . 0.0 111.327 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -92.76 11.78 25.74 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 53.07 56.69 7.18 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.097 0.475 . . . . 0.0 111.024 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.1 mt -95.47 126.69 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -90.05 -175.14 4.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.904 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.23 147.2 52.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.077 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 54.74 86.8 0.05 OUTLIER 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.281 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.2 t -130.85 148.72 52.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.1 m -97.41 118.68 34.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.212 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 45.0 mt -111.27 124.23 51.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.962 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -85.68 147.69 26.24 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.081 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.49 133.95 53.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.024 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 22.8 t -132.42 162.24 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.617 178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.7 tp -107.35 115.05 29.48 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.675 -178.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -80.9 131.96 35.4 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 34.5 mt -110.15 -20.67 12.6 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.58 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -62.44 -40.93 98.19 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.619 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.44 -171.21 26.93 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.861 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -90.67 140.24 29.96 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.692 0.282 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 76.9 mtm -84.43 -4.8 59.13 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.048 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.38 -57.62 14.79 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-O 119.264 -0.398 . . . . 0.0 110.875 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -61.97 -23.6 75.99 Favored 'Trans proline' 0 N--CA 1.507 2.322 0 C-N-CA 122.43 2.087 . . . . 0.0 113.131 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.32 -43.97 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.26 -44.14 97.72 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.011 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -66.93 -39.16 87.25 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.092 0.245 . . . . 0.0 110.702 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -65.46 -40.66 93.47 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.82 -39.2 93.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.69 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.99 -40.44 95.66 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.291 0.369 . . . . 0.0 110.287 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.49 -43.06 95.34 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.471 0.482 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.05 -40.62 95.01 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.213 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 24.2 mt -61.48 -40.9 96.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.696 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.14 -41.65 98.48 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.372 0.42 . . . . 0.0 110.221 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -70.33 -33.93 72.08 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.553 0.533 . . . . 0.0 110.824 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.13 -45.76 87.16 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 123.34 0.4 . . . . 0.0 110.337 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.97 -35.34 80.86 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.579 0.55 . . . . 0.0 111.125 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -60.89 -47.08 88.04 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.73 -34.23 77.39 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.182 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -64.36 -37.29 87.0 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.349 0.405 . . . . 0.0 111.11 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -65.63 -48.3 72.69 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.18 0.3 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.3 -41.76 84.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.4 86.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.051 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 24.5 tp -62.06 -36.87 82.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.597 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.16 -43.98 97.63 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.03 -43.45 95.55 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -59.98 -42.78 94.94 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.964 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -69.63 -39.84 76.9 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.323 0.389 . . . . 0.0 111.26 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 62.3 mtp -63.06 -44.33 96.12 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.021 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -68.03 -40.4 82.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.606 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.5 -34.69 77.65 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.591 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.23 -40.08 92.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -59.61 -34.79 73.21 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.263 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -65.89 -37.03 85.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.712 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 62.95 108.34 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.876 0.735 . . . . 0.0 110.966 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 5.0 t -144.84 151.56 38.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.391 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 35.8 m -119.03 -18.33 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.016 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 13.7 p -63.86 145.3 56.07 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -138.82 48.59 1.9 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.398 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -97.96 47.32 1.01 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.783 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.68 -40.26 96.54 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 80.31 152.67 8.19 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 11.3 t -63.02 -47.28 83.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.634 0.254 . . . . 0.0 110.512 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 14.4 p -160.71 151.8 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -121.5 -69.12 0.85 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.951 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 58.09 -87.36 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 O-C-N 123.144 0.278 . . . . 0.0 110.344 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -151.65 161.63 42.35 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 122.628 0.371 . . . . 0.0 110.33 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.14 142.47 36.34 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.557 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 79.8 mt -134.17 160.07 38.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.49 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 79.1 mtm180 -85.21 42.69 0.96 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 36.3 m -60.72 -41.14 94.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 14.3 m -60.8 150.66 31.99 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -142.61 173.59 11.4 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.619 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 65.0 mtt -79.51 146.69 32.54 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.411 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 62.03 120.14 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.534 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 101.13 -18.77 53.86 Favored Glycine 0 CA--C 1.535 1.312 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -65.92 140.89 58.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.641 0.221 . . . . 0.0 110.608 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.317 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -117.84 153.68 33.09 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.149 0.281 . . . . 0.0 110.534 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 56.01 22.82 6.15 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.166 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t -122.1 102.07 7.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.206 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -133.23 28.99 4.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.893 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.8 p -60.56 -42.83 97.38 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.037 0.446 . . . . 0.0 111.277 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mm -71.16 -42.3 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.045 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.408 ' CZ ' ' HG3' ' A' ' 115' ' ' PRO . 96.5 m-85 -63.99 -43.18 96.49 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.994 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.7 p -62.17 -37.37 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.23 -40.79 87.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.959 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.65 -40.93 93.83 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.65 -42.85 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.0 tp -61.5 -35.86 78.88 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.464 0.477 . . . . 0.0 110.649 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -62.25 -39.03 91.51 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -79.42 -36.03 39.62 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 123.208 0.317 . . . . 0.0 111.145 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.8 p -78.69 -33.4 16.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.778 -178.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.16 90.13 0.27 Allowed Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.131 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.84 -29.39 35.16 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.264 1.976 . . . . 0.0 113.162 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -64.68 -42.19 95.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.918 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.2 p -77.49 142.34 39.16 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.72 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.07 172.27 19.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.0 tt -134.95 142.36 40.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 110.387 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.9 m -78.48 152.54 32.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.438 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -62.1 -34.04 75.57 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 122.971 0.508 . . . . 0.0 110.281 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -67.54 -45.63 75.13 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 122.894 0.478 . . . . 0.0 110.264 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.19 96.96 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttm -62.52 -44.4 96.45 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.404 0.44 . . . . 0.0 110.4 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.95 -39.46 97.32 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.404 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.28 -42.61 96.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.1 mmm -62.12 -37.07 83.7 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -61.15 -43.52 98.76 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.353 0.408 . . . . 0.0 110.169 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -64.32 -36.56 84.53 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.377 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -62.7 -45.79 91.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.347 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -60.18 -47.19 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -65.62 -40.24 92.38 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 123.375 0.422 . . . . 0.0 111.234 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.44 -45.59 93.67 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.348 0.405 . . . . 0.0 111.387 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.3 mm -63.15 -40.85 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -55.99 -46.76 78.6 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -63.88 -44.93 91.55 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -63.58 -45.84 88.57 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.153 0.283 . . . . 0.0 111.43 -178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.64 -43.13 96.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 O-C-N 123.319 0.387 . . . . 0.0 110.222 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.96 -39.23 81.09 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.73 -42.99 94.97 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -67.19 -40.15 86.48 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.27 96.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.387 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.5 p -61.17 -43.05 99.5 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.175 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -61.66 -40.27 94.34 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.344 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.38 -39.7 95.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.563 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.14 87.4 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.191 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -63.16 -43.61 97.8 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.399 0.437 . . . . 0.0 110.174 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -60.92 -42.14 97.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.842 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -88.04 0.83 55.47 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.97 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt 54.6 31.91 16.02 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.663 0.268 . . . . 0.0 111.278 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -95.32 122.11 37.68 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.45 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 p -68.97 -40.44 78.83 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.363 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 m -98.61 135.49 40.05 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.698 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.5 mt -93.71 137.89 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.9 p -126.92 176.98 6.9 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.213 0.53 . . . . 0.0 111.083 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 m -55.08 -32.65 62.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.934 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -60.6 -44.1 96.65 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -66.75 -42.84 85.53 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.146 0.279 . . . . 0.0 110.489 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.0 mt -64.14 -41.83 93.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.967 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -55.79 -43.05 76.44 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.631 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.0 m -63.53 -45.29 91.26 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.235 0.334 . . . . 0.0 110.489 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.66 98.48 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.817 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.15 -45.03 99.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.503 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.61 -38.25 90.34 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.357 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.41 -34.07 67.59 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.8 mt -82.9 -37.94 23.56 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 mp -89.67 151.21 45.47 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -58.11 161.58 13.23 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.355 2.037 . . . . 0.0 111.166 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.38 -47.87 66.98 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.922 -0.377 . . . . 0.0 112.933 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -66.78 -43.08 84.9 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.924 0.362 . . . . 0.0 111.708 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.63 -39.49 93.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.495 -179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.15 85.71 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.842 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -59.05 -47.43 85.25 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.139 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -70.56 -40.97 73.04 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.264 0.352 . . . . 0.0 111.473 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -38.76 88.71 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.467 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 71.1 t -62.9 -42.07 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 123.36 0.413 . . . . 0.0 110.348 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -61.45 -42.11 98.26 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -67.45 -44.3 79.0 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.332 0.653 . . . . 0.0 112.025 -177.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.66 -46.47 61.49 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.801 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -62.26 -46.31 89.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.48 0.181 . . . . 0.0 110.647 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.35 -37.21 86.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.747 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.82 84.45 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 86.1 t -66.8 -42.38 89.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 m -61.6 -41.04 96.87 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.056 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.49 -41.75 94.92 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.422 0.451 . . . . 0.0 109.786 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.4 -45.88 91.13 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.9 p -68.06 -35.67 78.59 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.68 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.2 m -80.53 -20.88 42.52 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.124 1.769 . . . . 0.0 111.223 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -58.78 140.78 54.52 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 118.096 0.407 . . . . 0.0 110.773 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.2 150.35 46.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.413 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.1 m 57.21 18.45 4.22 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.278 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -82.13 156.71 24.36 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.37 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -134.95 -11.03 2.29 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.76 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 29.7 m -116.87 136.96 52.54 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.92 -43.87 94.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.5 p -65.37 -38.73 90.93 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.36 0.412 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -61.93 -40.88 97.01 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.4 0.438 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -62.82 -33.65 75.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.98 -32.03 23.22 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.172 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.47 63.35 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 72.5 mt -105.45 135.61 46.52 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.492 0.187 . . . . 0.0 110.502 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -62.57 -41.37 98.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.693 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -62.57 137.19 96.33 Favored Pre-proline 0 CA--C 1.545 0.77 0 O-C-N 123.513 0.508 . . . . 0.0 110.763 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.408 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 33.3 Cg_exo -59.34 104.26 0.2 Allowed 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.07 1.847 . . . . 0.0 112.014 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.6 t -65.42 -42.66 93.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.373 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.2 -41.15 92.65 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.93 -38.1 89.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.537 0.169 . . . . 0.0 111.25 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.71 -45.01 94.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -59.42 -41.49 89.62 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.374 0.421 . . . . 0.0 110.686 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -65.05 -41.25 95.35 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.413 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.9 -41.17 97.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.681 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.71 -43.33 99.07 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.298 0.373 . . . . 0.0 111.042 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -69.27 -41.89 76.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -64.25 -39.93 94.96 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.448 0.467 . . . . 0.0 110.226 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.07 -8.7 11.7 Favored Glycine 0 CA--C 1.538 1.527 0 O-C-N 123.366 0.416 . . . . 0.0 112.141 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 63.7 t30 59.15 30.02 19.7 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.998 0.399 . . . . 0.0 111.351 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.3 m-85 -64.93 -40.89 95.73 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.472 178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 87.7 p -149.81 166.96 27.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.533 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -65.08 -38.9 92.23 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.59 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -136.33 152.43 50.66 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.369 0.418 . . . . 0.0 111.041 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.7 t -130.59 137.57 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -81.37 172.08 53.55 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -87.18 -38.48 16.35 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.965 0.412 . . . . 0.0 110.856 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.16 -34.05 88.62 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.8 -60.79 8.37 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.314 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -54.0 -36.17 83.29 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 121.805 1.67 . . . . 0.0 111.258 178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.0 t -62.37 -45.88 97.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -61.9 -47.8 83.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.192 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.32 -40.7 97.19 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.804 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.97 -42.88 85.97 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.788 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.16 93.83 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.426 0.454 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.24 -45.01 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.252 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.81 -40.71 96.19 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.355 0.409 . . . . 0.0 110.969 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -62.43 -37.48 86.03 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.429 0.455 . . . . 0.0 110.346 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -61.82 -48.23 81.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.471 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.7 -43.14 99.57 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.325 0.391 . . . . 0.0 111.369 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 19.7 m -63.37 -45.69 89.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.137 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.51 84.73 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 112.173 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -68.22 -42.3 79.99 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.582 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.56 -43.47 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 123.26 0.35 . . . . 0.0 110.059 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.74 -40.19 96.47 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.461 0.475 . . . . 0.0 111.452 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -65.47 -43.18 91.06 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.258 0.349 . . . . 0.0 110.746 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 69.7 mt -63.33 -40.64 97.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.238 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.52 87.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.344 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -60.8 -40.57 98.37 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -64.67 -42.68 95.21 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.245 -0.182 . . . . 0.0 110.53 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.7 88.85 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.59 80.93 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.981 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -60.05 -42.0 93.52 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.743 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -65.54 -22.49 66.71 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.82 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -96.92 13.36 29.1 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.518 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 58.62 35.12 24.33 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.958 0.408 . . . . 0.0 111.2 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -124.6 139.1 54.19 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.722 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 20.8 p -98.5 -17.5 18.7 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.35 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -82.69 144.14 30.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.388 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 66.4 mt -103.8 127.96 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 22.8 pt -131.11 165.21 36.76 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.037 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.83 -33.19 40.09 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.104 1.87 . . . . 0.0 112.015 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.38 -43.07 99.49 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -66.49 -40.45 89.29 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.291 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.2 mt -61.7 -42.66 99.23 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -65.37 -40.95 94.17 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.368 0.417 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.65 -42.55 99.66 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.455 0.472 . . . . 0.0 111.062 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -64.18 -46.46 83.86 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.374 0.421 . . . . 0.0 111.246 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.43 -44.12 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -65.48 -33.15 75.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -76.31 -16.5 59.75 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.192 0.308 . . . . 0.0 111.58 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.59 116.21 31.54 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -62.25 -42.1 99.03 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.55 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -61.72 -48.39 80.97 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.181 0.301 . . . . 0.0 111.419 -178.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.93 -36.29 82.91 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.514 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -59.54 -37.85 79.49 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.992 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.03 -44.4 96.03 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.212 0.32 . . . . 0.0 110.417 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 28.9 tp -65.8 -41.22 92.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.789 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 77.6 mt -100.11 20.89 13.69 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.026 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -57.23 -38.03 84.0 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -95.58 17.2 15.29 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 89.7 t -123.61 128.26 74.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 27.5 m -119.04 111.21 18.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.548 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 67.2 mt -91.67 -40.89 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.036 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -83.04 121.53 27.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.607 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -71.63 -39.65 70.26 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.5 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.9 -179.84 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.7 ptt? . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -102.77 129.98 49.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.995 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.0 pt -131.71 157.67 43.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.977 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -110.37 142.75 41.62 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.937 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.14 129.31 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -118.79 151.07 38.73 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.91 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 70.5 p -122.37 164.19 18.42 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.513 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.86 -25.19 67.07 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.406 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -69.11 -19.38 64.05 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 120.226 -1.546 . . . . 0.0 111.186 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.15 12.23 37.05 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 121.515 -0.74 . . . . 0.0 112.638 -172.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -89.75 132.57 35.13 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.133 0.467 . . . . 0.0 110.087 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.2 m -120.49 126.8 51.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.017 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.7 pt -127.5 136.15 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.724 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -83.08 141.55 31.93 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 tp -144.52 136.15 25.72 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.852 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -108.9 118.19 36.15 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.927 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.01 161.53 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.227 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -100.13 141.95 23.71 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.93 -19.12 30.63 Favored 'Trans proline' 0 N--CA 1.505 2.201 0 C-N-CA 122.146 1.897 . . . . 0.0 112.864 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -88.89 2.44 53.75 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.23 174.58 11.4 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.717 0.294 . . . . 0.0 110.943 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -107.91 154.19 21.96 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.268 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mm -61.75 -40.6 87.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.695 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -54.93 -44.26 74.11 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -62.44 -40.07 95.41 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.337 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.69 -43.82 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.666 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.3 -38.57 77.34 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.442 0.464 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.91 87.02 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.346 0.404 . . . . 0.0 110.324 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.0 -39.66 95.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.962 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 44.1 mm -63.16 -41.35 92.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.496 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -56.09 -37.62 69.6 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.28 -41.26 94.35 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.542 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -88.21 -29.3 20.59 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -91.85 -41.01 10.86 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 119.792 -1.817 . . . . 0.0 113.942 175.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.07 27.73 39.75 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -171.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.5 mt -116.11 136.81 23.06 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-O 119.15 -0.452 . . . . 0.0 109.912 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.17 129.89 13.24 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.949 1.766 . . . . 0.0 112.23 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -55.13 -37.46 94.11 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.114 1.876 . . . . 0.0 112.732 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.97 -36.49 83.65 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -80.37 11.23 3.76 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.9 -0.5 . . . . 0.0 111.24 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -117.68 134.03 55.32 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -116.98 128.4 55.15 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -101.57 126.79 48.44 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 78.3 mt -118.93 130.29 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.66 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -129.78 125.61 36.21 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 70.67 18.42 6.35 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 123.326 0.391 . . . . 0.0 110.844 -178.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.22 12.79 67.13 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.715 -0.491 . . . . 0.0 112.812 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 pttt -128.87 135.28 48.88 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -62.78 175.27 0.86 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.366 0.416 . . . . 0.0 110.501 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 74.3 mt -125.61 147.44 49.31 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.497 0.498 . . . . 0.0 110.994 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -89.45 137.85 31.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.739 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.34 -36.48 84.26 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.466 0.479 . . . . 0.0 112.088 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.54 11.57 24.94 Favored Glycine 0 CA--C 1.534 1.275 0 O-C-N 123.491 0.494 . . . . 0.0 113.248 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -119.91 158.12 27.34 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 117.441 0.62 . . . . 0.0 111.07 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 78.1 p -100.11 167.95 10.13 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.769 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 99.4 mt -64.21 -39.57 94.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.539 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -59.1 -29.03 67.06 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.764 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.77 -34.01 76.35 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.183 0.302 . . . . 0.0 111.114 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -92.2 9.31 34.24 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.315 0.384 . . . . 0.0 111.775 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 56.82 38.81 29.71 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.897 0.38 . . . . 0.0 111.342 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.7 mt -77.14 126.6 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -94.22 -178.55 4.65 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -66.6 148.15 52.29 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 54.66 84.28 0.07 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.311 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 p -129.49 156.05 44.75 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.254 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.6 m -105.19 121.39 43.73 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.326 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 71.5 mt -111.46 128.33 55.97 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.062 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -90.93 141.53 28.73 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.138 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.3 tp -110.92 130.37 55.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.745 -178.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 17.5 t -131.67 165.13 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.829 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 8.4 mp -106.99 131.49 54.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.719 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -97.28 134.58 40.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.233 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 52.9 mt -115.14 -7.07 12.47 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.792 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -61.96 -41.27 97.79 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.82 166.55 24.28 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -86.86 -21.51 26.34 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.433 0.137 . . . . 0.0 111.15 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 95.4 mtp -63.36 -40.96 98.7 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.141 0.276 . . . . 0.0 110.547 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -177.27 143.52 0.53 Allowed Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.484 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.44 -12.15 34.02 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 122.223 1.949 . . . . 0.0 112.937 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.04 -40.91 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 29.7 mt -60.43 -44.05 96.17 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.27 0.356 . . . . 0.0 110.921 -179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.41 -41.49 98.72 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.335 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.24 -37.88 86.57 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.002 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 70.5 mtm -65.83 -37.57 86.56 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.09 -43.87 97.89 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.19 -44.0 85.2 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.951 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -65.27 -39.76 93.01 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.02 -39.37 94.56 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.754 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -61.77 -42.57 99.16 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.19 0.306 . . . . 0.0 110.649 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -72.79 -38.09 67.36 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.356 0.41 . . . . 0.0 110.718 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -64.0 -44.69 91.87 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.262 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.67 -32.01 73.04 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.584 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.09 -42.49 94.76 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.35 -37.8 88.8 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.262 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -63.82 -38.9 92.83 Favored 'General case' 0 C--N 1.339 0.115 0 O-C-N 123.413 0.446 . . . . 0.0 111.0 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -62.17 -46.54 88.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.73 -41.52 92.14 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -59.95 -38.27 81.96 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.414 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 28.6 tp -62.02 -37.7 85.9 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.79 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.65 -42.95 99.62 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 89.3 mt -63.67 -43.91 95.31 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.48 -41.93 95.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.34 -43.02 74.53 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.286 0.366 . . . . 0.0 111.496 179.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 60.5 mtm -64.53 -44.25 91.44 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.313 0.383 . . . . 0.0 111.182 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -66.22 -39.82 89.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.476 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.25 -34.05 77.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.75 -40.9 96.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.466 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.58 -39.19 91.36 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.361 0.413 . . . . 0.0 110.295 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -62.36 -36.25 81.67 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.057 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 65.38 74.6 0.38 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.613 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 68.2 p -93.57 177.38 6.04 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.334 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 45.7 t -113.54 130.91 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 27.2 t -72.66 143.6 48.06 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.73 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -130.94 149.17 52.69 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.318 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -64.89 143.5 57.9 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.361 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -109.63 130.36 55.52 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.444 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -79.58 -85.47 0.59 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 19.8 p -154.18 -66.01 0.14 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.541 0.21 . . . . 0.0 110.531 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.07 135.54 60.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.886 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -97.02 110.47 23.0 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.73 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -145.11 172.23 13.38 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.326 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -52.87 142.87 18.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.828 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.78 137.01 56.32 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.126 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 56.1 mt -131.07 139.71 49.94 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.707 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -65.9 -34.34 77.89 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.676 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 48.1 m -51.98 -40.23 60.6 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.348 0.405 . . . . 0.0 111.053 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 5.3 p -130.85 128.6 40.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -151.47 166.95 29.54 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.538 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 95.2 mmm -130.14 145.19 51.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -157.82 161.38 38.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.572 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 89.63 16.66 56.39 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.928 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -72.57 142.09 48.42 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.682 0.241 . . . . 0.0 110.775 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 64.1 tttm . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.208 179.676 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -140.56 155.37 46.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.759 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -95.79 125.79 40.61 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.099 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.1 m -61.96 -38.97 90.51 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.546 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 60.41 9.02 1.83 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.846 -179.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.3 p -68.24 -40.81 81.89 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.888 0.375 . . . . 0.0 111.098 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mm -69.33 -43.09 81.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.194 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -62.88 -43.63 98.27 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.876 -179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -63.22 -36.41 75.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -55.07 -45.75 75.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -62.67 -39.06 92.75 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.93 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 71.0 t -60.42 -42.54 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 39.4 tp -59.76 -37.41 78.94 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.37 0.419 . . . . 0.0 110.671 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -63.47 -35.75 81.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.784 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -35.3 54.25 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.466 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 p -77.0 -27.87 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.751 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.33 91.13 0.21 Allowed Pre-proline 0 CA--C 1.551 0.998 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -58.01 -33.32 97.09 Favored 'Trans proline' 0 N--CA 1.504 2.092 0 C-N-CA 122.56 2.173 . . . . 0.0 112.98 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.25 -50.23 72.55 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.7 p -81.84 133.49 35.33 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.848 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.14 -172.56 21.71 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 tt -137.33 139.5 43.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.748 0.308 . . . . 0.0 110.267 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -79.03 160.93 26.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.266 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -59.06 -40.86 86.49 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 124.715 1.206 . . . . 0.0 109.043 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -67.08 -43.39 82.69 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.369 1.068 . . . . 0.0 110.596 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.94 91.46 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.489 0.493 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.4 tpp -64.95 -41.39 95.54 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.537 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.29 -38.96 95.41 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.79 -43.96 99.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.8 mmm -64.8 -35.51 81.33 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.058 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -59.27 -44.46 92.43 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.5 m -67.15 -33.79 76.18 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.402 0.439 . . . . 0.0 110.481 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -61.85 -44.56 96.59 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.028 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.2 t -61.28 -46.71 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -64.48 -42.44 95.88 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.486 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.93 -48.1 77.91 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.683 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.0 mm -65.4 -41.98 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.075 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -57.17 -46.47 82.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.2 -42.43 84.15 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.268 0.355 . . . . 0.0 111.933 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -62.35 -44.23 96.97 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.192 0.307 . . . . 0.0 111.628 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.6 mt -65.19 -43.25 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.07 94.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.23 -43.36 95.46 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -67.67 -39.71 84.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.62 93.05 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.5 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.9 p -61.11 -43.64 98.57 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.211 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.47 -40.87 98.25 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.559 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.33 -41.2 98.37 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.21 -37.64 88.18 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.371 0.42 . . . . 0.0 110.483 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -65.82 -42.45 90.58 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.928 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -63.18 -40.03 96.33 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.87 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -86.92 0.71 54.57 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.923 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 55.66 30.34 15.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.75 0.31 . . . . 0.0 111.312 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -100.98 107.68 19.21 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.525 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.3 m -60.47 -38.9 85.74 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 m -89.55 126.14 35.49 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.735 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.8 mt -86.26 135.06 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.5 p -131.53 176.03 8.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.83 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.8 p -56.35 -32.22 64.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.958 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -61.08 -43.9 98.19 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.013 0.196 . . . . 0.0 111.319 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -66.62 -43.31 85.12 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.074 0.234 . . . . 0.0 110.682 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.89 -42.78 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.018 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -56.25 -43.15 78.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.912 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 m -62.85 -45.03 94.51 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.214 0.321 . . . . 0.0 110.461 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.82 92.36 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.45 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.51 -45.51 95.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 123.34 0.4 . . . . 0.0 110.408 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.89 -38.44 90.98 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.19 0.306 . . . . 0.0 111.636 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.3 mt -71.23 -33.39 69.82 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -87.27 -37.13 17.47 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.4 mp -93.83 149.99 37.92 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -63.48 -176.66 0.33 Allowed 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.463 2.108 . . . . 0.0 111.764 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.54 -48.95 67.83 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 116.353 -0.385 . . . . 0.0 113.273 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -64.0 -45.97 86.63 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.864 0.332 . . . . 0.0 111.628 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.87 -41.63 97.71 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.348 -179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.24 94.17 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.369 0.418 . . . . 0.0 111.918 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -59.99 -46.75 88.44 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.136 0.273 . . . . 0.0 111.442 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 146' ' ' TYR . 25.7 m-70 -71.52 -36.3 71.0 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.02 84.64 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.74 -41.68 93.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.441 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -62.97 -44.19 96.74 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 123.431 0.693 . . . . 0.0 110.785 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -66.08 -45.38 81.47 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 120.542 -1.349 . . . . 0.0 111.184 -179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.18 -43.05 73.44 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 24.5 p -64.15 -45.73 87.21 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.668 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -63.97 -37.03 85.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.961 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.58 93.83 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.84 -41.46 90.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 m -60.07 -44.55 94.66 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.071 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.66 -36.19 82.07 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.069 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -58.7 -46.67 86.77 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.5 m -69.17 -38.9 78.95 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.721 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.5 t -63.09 -46.91 85.14 Favored 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 124.672 1.189 . . . . 0.0 111.599 -177.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 52.7 m -62.4 -35.05 77.99 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 122.376 0.271 . . . . 0.0 110.86 177.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 71.7 -63.01 0.44 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.546 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -132.81 136.55 46.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.395 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.96 165.42 27.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.133 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.99 -46.04 75.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.879 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.9 p -126.41 166.65 16.8 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.787 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.16 -43.25 87.47 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.5 p -61.63 -33.03 73.22 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.3 0.375 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.3 t -63.88 -38.15 90.04 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.368 0.417 . . . . 0.0 110.875 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -62.17 -34.73 76.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 -179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -93.5 -22.19 19.01 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.673 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 65.56 39.6 95.63 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.0 mt -109.92 133.96 52.61 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -56.84 -43.49 81.15 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -63.41 129.34 93.52 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 123.507 0.504 . . . . 0.0 110.31 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -58.95 106.59 0.3 Allowed 'Trans proline' 0 N--CA 1.502 2.0 0 C-N-CA 122.151 1.9 . . . . 0.0 112.051 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 89.4 t -63.42 -43.25 98.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.334 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.38 -40.03 91.4 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -66.2 -38.8 88.86 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.334 0.111 . . . . 0.0 110.908 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.88 -44.9 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -60.93 -43.35 98.75 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.463 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -64.88 -41.53 95.56 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.26 -40.28 95.68 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.396 0.435 . . . . 0.0 111.431 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.97 -44.03 97.93 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.335 0.397 . . . . 0.0 110.856 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.73 -40.72 76.05 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.71 -39.45 93.66 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.748 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.69 -5.26 23.27 Favored Glycine 0 CA--C 1.54 1.598 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.127 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.2 t30 59.36 28.47 17.83 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.946 0.373 . . . . 0.0 111.495 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 63.5 m-85 -63.54 -41.4 98.45 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.337 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 82.5 p -153.74 163.21 40.4 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.453 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -67.38 -38.88 85.4 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -126.2 145.56 50.33 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.6 t -128.43 134.89 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -84.55 175.06 50.69 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.68 -37.42 13.04 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.579 -0.31 . . . . 0.0 110.815 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.69 -35.05 90.54 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.703 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.21 -59.93 12.23 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.553 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -54.31 -38.31 88.73 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 121.641 1.56 . . . . 0.0 111.34 178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.8 -45.8 97.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -61.96 -43.92 97.82 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.458 0.474 . . . . 0.0 110.087 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.65 -41.64 99.17 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.741 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.04 -41.76 88.6 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.05 -41.79 90.39 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.424 0.452 . . . . 0.0 111.123 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 65.5 t -63.82 -45.56 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.388 -179.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.93 -40.99 97.72 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.396 0.435 . . . . 0.0 111.197 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -64.28 -39.37 93.8 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.526 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 69.8 t80 -61.52 -47.48 85.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.69 -42.45 98.96 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.113 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 15.7 m -62.55 -44.39 96.45 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.431 0.457 . . . . 0.0 111.007 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.92 88.84 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.0 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -68.52 -41.4 80.0 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.236 0.335 . . . . 0.0 111.845 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.5 -43.42 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 O-C-N 123.389 0.43 . . . . 0.0 109.907 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 79.4 mt -63.59 -40.37 96.77 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.4 0.438 . . . . 0.0 111.611 -178.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 46.1 tp10 -62.62 -45.78 91.29 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.129 0.268 . . . . 0.0 110.524 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 66.7 mt -62.95 -40.16 96.83 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.305 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.75 -36.99 80.32 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.179 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -62.96 -39.19 97.76 Favored Glycine 0 C--N 1.339 0.744 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -62.32 -41.95 98.97 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.98 95.54 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.28 -34.62 78.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.912 178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 61.8 ttt85 -58.32 -43.36 88.13 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -64.93 -33.61 76.44 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.361 0.413 . . . . 0.0 110.255 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -96.99 16.36 19.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.788 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 61.8 pttt 41.01 46.68 2.5 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.045 0.45 . . . . 0.0 111.942 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -113.76 118.28 33.84 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.521 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 28.9 p -66.86 -38.66 86.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -86.73 150.7 23.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 71.1 mt -103.47 129.58 55.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 24.0 pt -119.99 165.92 16.51 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.208 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -51.75 -33.82 51.6 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.121 1.88 . . . . 0.0 112.058 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -61.2 -42.72 99.09 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -66.4 -41.37 89.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.155 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.03 -42.6 99.8 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.37 -43.28 95.02 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.242 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.91 -41.21 97.73 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.991 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.43 92.6 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 37.0 mm -64.12 -43.87 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.139 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -65.92 -33.49 75.96 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.467 0.479 . . . . 0.0 110.759 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -76.07 -16.83 59.86 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.089 0.243 . . . . 0.0 111.384 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -104.29 112.84 26.04 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.18 -39.98 96.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.681 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 50.7 mp0 -62.89 -47.13 84.65 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.269 0.356 . . . . 0.0 111.638 -179.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 75.8 mt -65.7 -35.91 82.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.804 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -59.39 -40.8 87.72 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.254 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.87 -44.76 92.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.42 -39.8 92.59 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.666 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 67.1 mt -97.77 20.02 12.72 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.034 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -59.01 -35.59 84.45 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -98.71 11.86 37.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 70.4 t -121.62 126.6 74.96 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 6.7 t -114.23 139.35 49.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.726 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 24.2 mm -88.17 138.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.25 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -51.3 -37.93 50.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 60.85 96.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.249 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 118.005 -1.441 . . . . 0.0 110.945 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptt? . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -96.43 130.26 43.61 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.121 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.5 pt -131.64 162.49 39.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.053 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -116.35 141.17 48.51 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -120.35 129.16 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -115.28 151.8 33.88 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.182 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.3 p -122.75 164.61 18.01 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.694 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.92 -22.27 65.45 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.312 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 58.7 p -69.87 -24.4 63.41 Favored 'General case' 0 N--CA 1.439 -0.986 0 O-C-N 119.895 -1.753 . . . . 0.0 111.284 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.22 1.6 38.45 Favored Glycine 0 C--N 1.356 1.687 0 O-C-N 121.161 -0.962 . . . . 0.0 112.677 -173.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -82.78 150.57 26.56 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 117.262 0.531 . . . . 0.0 110.099 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.5 m -130.9 128.54 40.75 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.321 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 46.8 pt -123.32 135.67 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.295 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.7 t -81.62 139.16 35.17 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.5 tp -142.79 141.0 31.58 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -110.94 116.68 31.62 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.239 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -135.01 161.99 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.037 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -107.44 154.35 40.73 Favored Pre-proline 0 CA--C 1.539 0.522 0 O-C-N 123.177 0.298 . . . . 0.0 110.718 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.84 -34.36 91.17 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 122.252 1.968 . . . . 0.0 112.299 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.4 p -78.03 -15.56 58.82 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -66.35 142.23 57.7 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.65 0.262 . . . . 0.0 110.544 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p -80.14 159.12 26.16 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.903 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.2 mm -63.94 -42.35 95.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.468 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.14 -37.82 72.61 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.343 0.402 . . . . 0.0 110.228 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -62.66 -42.22 99.5 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.073 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.93 -43.11 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.544 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.27 -39.25 86.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.649 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.97 85.15 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.352 0.408 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.78 -39.55 94.55 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.435 0.459 . . . . 0.0 109.791 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.9 -41.86 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -56.5 -37.54 70.54 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.74 -35.22 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.843 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -81.32 -46.0 15.36 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.544 ' HG2' HD13 ' B' ' 36' ' ' ILE . 4.3 tp10 -98.95 -36.55 9.71 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 176.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.65 30.62 11.41 Favored Glycine 0 C--N 1.359 1.832 0 C-N-CA 124.492 1.044 . . . . 0.0 111.676 -170.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.544 HD13 ' HG2' ' B' ' 34' ' ' GLU . 52.2 mt -94.53 141.05 22.93 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.083 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.01 118.01 4.8 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 121.989 1.793 . . . . 0.0 112.256 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -55.65 -35.89 93.81 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.301 2.0 . . . . 0.0 112.637 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.75 -38.64 91.86 Favored 'General case' 0 N--CA 1.422 -1.833 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -88.36 9.21 24.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.605 0.762 . . . . 0.0 111.506 -169.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -108.33 137.1 46.87 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.893 0.377 . . . . 0.0 111.729 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -114.39 134.72 54.77 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.256 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 73.2 mt -108.45 128.82 55.13 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 10.4 mm -115.25 129.66 71.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.286 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -122.07 121.43 36.95 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.73 26.91 8.07 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.325 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.41 15.77 70.6 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 112.091 -0.404 . . . . 0.0 112.091 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -111.12 136.71 49.75 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 117.151 0.476 . . . . 0.0 110.3 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -64.7 150.91 46.35 Favored 'General case' 0 CA--C 1.515 -0.399 0 O-C-N 123.438 0.461 . . . . 0.0 110.079 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -121.4 127.28 51.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.206 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -86.22 136.9 33.0 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.095 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -64.02 -38.89 92.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.688 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.93 -18.17 70.36 Favored Glycine 0 CA--C 1.534 1.234 0 O-C-N 123.571 0.544 . . . . 0.0 112.934 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -91.28 163.89 14.07 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 117.273 0.536 . . . . 0.0 111.003 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -102.83 167.57 9.79 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.7 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.98 -40.08 96.65 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.467 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.6 t -58.57 -29.11 66.14 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.17 -35.55 77.43 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.176 0.298 . . . . 0.0 111.148 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -91.95 9.73 31.84 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.788 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.7 t30 52.97 52.66 13.42 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.12 0.486 . . . . 0.0 111.141 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.6 mt -86.51 126.6 40.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -95.34 175.82 6.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.537 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -58.58 143.6 45.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.125 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 57.14 86.57 0.07 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.054 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 96.3 p -129.47 156.82 43.51 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.6 m -108.22 122.4 46.86 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.376 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 71.7 mt -116.42 125.62 52.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.916 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -89.17 148.93 23.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.887 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.6 tp -110.46 131.44 55.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.865 -178.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 14.3 t -130.5 165.11 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.746 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mp -108.64 125.28 51.69 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.741 0.305 . . . . 0.0 111.328 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -89.09 136.11 33.2 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.481 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 45.1 mt -125.12 21.73 8.03 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -66.58 -43.01 86.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.363 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.66 173.86 34.61 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -116.4 130.81 56.97 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.527 0.203 . . . . 0.0 110.67 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 94.2 mtp -64.96 -40.17 94.6 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.53 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.52 125.37 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.13 -11.34 25.12 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 122.103 1.869 . . . . 0.0 113.049 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 48.6 t -62.19 -42.32 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 28.6 mt -60.59 -43.43 97.38 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.076 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -64.23 -39.32 93.72 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.531 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.24 -38.99 78.76 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.972 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 73.8 mtm -65.08 -39.45 93.23 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.58 -43.92 97.6 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.698 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.01 -43.42 92.54 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.945 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.53 -40.88 96.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.16 -40.96 97.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -62.15 -42.32 99.14 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.279 0.362 . . . . 0.0 110.494 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.41 -38.32 74.58 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.773 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' C' ' 670' ' ' ARG . 83.2 tt0 -64.14 -47.74 78.76 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -63.19 -33.48 75.57 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.452 0.47 . . . . 0.0 111.423 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -59.08 -46.28 88.69 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -35.45 78.97 Favored 'General case' 0 C--O 1.226 -0.148 0 O-C-N 123.695 0.622 . . . . 0.0 110.479 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' C' ' 666' ' ' GLU . 38.0 mtm180 -64.48 -39.3 93.55 Favored 'General case' 0 C--N 1.344 0.341 0 O-C-N 123.376 0.422 . . . . 0.0 110.619 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -65.25 -47.89 75.16 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.34 0.4 . . . . 0.0 110.794 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.5 -43.78 80.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.975 0.416 . . . . 0.0 110.101 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -61.71 -38.33 87.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.427 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.64 -38.22 86.89 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.702 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.92 -41.29 97.75 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.32 -43.63 94.07 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -61.6 -41.01 96.82 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.439 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 -67.55 -42.81 82.08 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 75.5 mtm -65.85 -45.31 82.65 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.281 0.363 . . . . 0.0 111.272 -179.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 32.5 m-85 -65.31 -41.33 94.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.592 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.65 -34.44 77.87 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.73 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -60.76 -40.12 91.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.739 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -54.53 -42.54 71.0 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.376 0.423 . . . . 0.0 110.129 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 89.5 mtt180 -80.06 -14.63 58.38 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.679 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 62.42 147.96 0.02 OUTLIER 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.275 0.359 . . . . 0.0 111.127 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 5.9 t -137.18 167.07 22.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.351 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.39 158.5 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.094 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 29.1 p -93.52 13.96 20.24 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 123.46 0.475 . . . . 0.0 111.347 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -59.85 -42.73 94.29 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -105.48 117.98 35.39 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.468 0.48 . . . . 0.0 110.54 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.54 -45.39 87.32 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 63.75 31.18 79.91 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 78.1 p -62.05 -37.07 83.56 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.518 0.199 . . . . 0.0 110.754 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 55.2 t -100.0 121.41 50.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.908 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -113.09 10.88 18.78 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.448 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -99.22 177.0 5.34 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -70.74 148.15 48.27 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.221 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.22 138.65 58.55 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.976 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 72.9 mt -133.14 132.97 42.26 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.509 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -65.22 -39.74 93.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.614 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 38.4 t -99.29 130.88 45.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.51 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 66.0 m -155.01 168.77 25.87 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.768 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -63.25 -41.43 99.06 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 63.8 mtt -79.81 110.1 14.84 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -171.16 76.31 0.06 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.521 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 113.95 -165.6 12.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.44 81.8 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.57 0.224 . . . . 0.0 110.52 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.857 -1.068 . . . . 0.0 110.733 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -125.44 149.56 48.1 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.694 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -88.43 162.39 16.52 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.117 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -91.93 106.34 18.39 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.709 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -106.31 10.43 31.67 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.373 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 p -63.41 -40.24 96.67 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.8 mt -66.85 -42.92 89.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.69 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -66.86 -43.95 82.25 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.923 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.11 -35.59 75.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.405 ' CD1' ' SD ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -56.26 -44.57 79.84 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -61.87 -39.02 90.47 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.617 0.573 . . . . 0.0 110.035 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.6 t -60.71 -43.08 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.34 -37.18 82.36 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.377 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.01 -40.12 94.46 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -36.32 69.93 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.024 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -77.74 -33.33 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.616 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.26 91.16 0.23 Allowed Pre-proline 0 CA--C 1.552 1.041 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.512 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -54.66 -36.17 88.98 Favored 'Trans proline' 0 N--CA 1.505 2.15 0 C-N-CA 122.579 2.186 . . . . 0.0 112.852 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -60.63 -43.79 97.1 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.785 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.9 p -70.19 134.47 48.12 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.265 0.353 . . . . 0.0 110.548 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.18 169.08 12.75 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.5 tt -138.26 144.17 31.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.685 0.279 . . . . 0.0 110.356 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.4 p -75.66 158.87 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.333 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -66.55 -36.11 81.87 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 123.302 0.641 . . . . 0.0 110.605 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -66.07 -42.42 89.43 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 123.675 0.79 . . . . 0.0 110.648 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.24 90.3 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.405 ' SD ' ' CD1' ' A' ' 18' ' ' TYR . 25.4 ttm -62.49 -43.28 99.19 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.51 0.506 . . . . 0.0 110.513 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.77 -38.61 95.51 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.131 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.96 -41.29 92.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.6 mmm -61.11 -37.49 82.94 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.954 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.2 -41.21 96.42 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.8 m -62.34 -37.62 86.34 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.364 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -61.68 -43.98 97.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.821 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.84 -46.12 94.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -64.78 -41.19 96.04 Favored 'General case' 0 N--CA 1.464 0.225 0 O-C-N 123.416 0.448 . . . . 0.0 111.041 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.61 -42.48 99.6 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.396 0.435 . . . . 0.0 111.405 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.2 mm -63.44 -42.64 96.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.794 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.42 -43.8 88.85 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 123.409 0.443 . . . . 0.0 110.809 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -62.01 -46.56 88.65 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -65.8 -46.72 77.61 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.8 -43.72 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.062 -179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.45 87.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.105 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.7 96.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -69.77 -41.42 75.19 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.42 97.4 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.41 0.444 . . . . 0.0 110.279 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.0 t -61.91 -43.19 99.34 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.435 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -64.71 -40.79 95.94 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.483 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.39 -40.1 95.37 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.56 -38.64 91.91 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.4 0.438 . . . . 0.0 110.633 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -66.91 -45.22 78.61 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -66.35 -35.46 80.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.522 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -85.2 2.6 43.06 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 53.96 29.59 10.29 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.873 0.368 . . . . 0.0 111.742 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.0 mtt85 -116.34 108.42 16.05 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.358 179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.8 m -61.26 -44.58 97.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m -72.42 130.45 40.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.8 mt -99.39 133.87 40.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.6 p -130.43 175.75 8.71 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.161 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.5 p -54.85 -31.64 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.526 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -60.74 -44.26 96.9 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.193 0.308 . . . . 0.0 111.32 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.5 mp0 -66.86 -43.46 83.53 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.186 0.304 . . . . 0.0 110.706 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.1 mt -64.01 -42.54 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.815 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -55.94 -42.11 75.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.245 0.341 . . . . 0.0 110.836 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.5 m -62.89 -44.68 95.43 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.35 0.406 . . . . 0.0 110.247 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.67 -38.33 89.01 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.671 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.0 t -61.95 -44.77 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.24 -179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.12 -38.44 91.06 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.311 0.382 . . . . 0.0 111.264 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.0 mt -76.26 -31.83 58.51 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.44 0.462 . . . . 0.0 112.226 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.6 mt -79.79 -37.99 34.05 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.3 mp -102.58 148.07 34.96 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -51.14 179.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.504 2.095 0 C-N-CA 122.43 2.087 . . . . 0.0 111.642 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.71 -47.3 77.68 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 116.38 -0.373 . . . . 0.0 113.14 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.94 -46.77 80.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.863 0.331 . . . . 0.0 111.58 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.85 -41.18 97.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.228 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.26 -39.47 90.49 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.442 0.464 . . . . 0.0 111.374 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -60.13 -46.47 89.54 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.346 0.404 . . . . 0.0 110.515 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -66.91 -36.94 83.4 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 123.575 0.547 . . . . 0.0 111.02 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.64 72.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.41 -41.13 91.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 123.353 0.408 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.2 t -59.32 -48.55 81.22 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -68.46 -44.15 75.47 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.722 0.809 . . . . 0.0 112.138 -177.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.9 -47.63 45.93 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 121.517 -0.373 . . . . 0.0 113.028 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.8 m -61.01 -47.24 87.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.509 0.195 . . . . 0.0 111.198 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -64.15 -36.93 85.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.108 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.14 94.6 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.9 t -68.04 -42.88 85.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.2 m -59.98 -42.32 93.95 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -60.36 -42.02 94.91 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -62.23 -45.0 95.28 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.3 p -67.86 -37.95 82.48 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.494 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -74.83 -48.93 22.58 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 119.586 -1.946 . . . . 0.0 111.534 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 m -72.48 137.73 46.57 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 118.352 0.524 . . . . 0.0 110.716 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.26 -35.83 1.76 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.78 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.2 m -64.32 -31.22 72.34 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.63 93.34 0.04 OUTLIER 'General case' 0 C--N 1.34 0.157 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -63.44 -39.48 94.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.141 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 16.9 m -67.72 136.25 53.98 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.062 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -60.78 -44.39 96.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.4 p -65.72 -34.85 79.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.193 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.9 t -62.59 -41.41 98.94 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.92 -35.19 77.64 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.39 0.431 . . . . 0.0 110.713 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.27 -29.94 26.03 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.73 25.05 74.97 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.7 mt -101.05 137.3 39.6 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -63.78 -41.54 97.94 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.678 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -63.1 143.09 97.69 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_endo -63.52 102.63 0.35 Allowed 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 122.199 1.933 . . . . 0.0 111.854 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.19 -42.96 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.83 -41.93 96.3 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.298 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -64.6 -37.98 89.42 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.591 0.195 . . . . 0.0 111.409 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.2 t -59.67 -43.3 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -57.3 -44.24 83.91 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.431 0.457 . . . . 0.0 110.5 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -66.71 -37.24 84.3 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.21 -41.51 96.97 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.502 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.44 -46.02 91.56 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.232 0.332 . . . . 0.0 110.71 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 -70.91 -36.26 72.61 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.776 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.44 -38.61 90.44 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.371 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.68 -1.87 33.16 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 58.16 30.42 19.35 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.817 0.309 . . . . 0.0 111.351 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -68.16 -42.02 80.66 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.589 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 38.0 p -153.09 158.84 42.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.621 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -70.06 -35.99 74.64 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.827 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -124.31 142.74 51.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.988 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.08 137.65 55.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.482 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -82.63 169.42 48.95 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.81 -40.81 15.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.769 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.55 -21.1 62.22 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.524 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -68.47 -61.15 4.06 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 118.923 -0.561 . . . . 0.0 110.578 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -57.7 -33.77 97.22 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.696 1.597 . . . . 0.0 111.416 178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.11 -46.52 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -64.34 -47.31 79.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.152 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 35.6 tp -62.69 -41.31 99.04 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.781 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.88 84.39 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.1 -39.77 90.25 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.345 0.403 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.28 -45.76 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.301 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.83 -40.55 95.69 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.384 0.427 . . . . 0.0 110.833 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -61.59 -40.27 94.17 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.399 0.437 . . . . 0.0 110.178 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -61.72 -47.63 84.4 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.334 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.76 -42.33 99.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.48 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.1 m -63.41 -45.07 92.7 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.214 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.25 -40.99 99.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.801 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -67.94 -43.07 79.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.381 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.56 -42.98 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 O-C-N 123.299 0.375 . . . . 0.0 110.014 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.44 -41.18 98.54 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.601 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -67.51 -41.69 84.04 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.185 0.303 . . . . 0.0 110.697 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 64.8 mt -63.57 -41.33 98.41 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.357 179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.09 -36.57 80.02 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.466 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.63 -38.61 95.9 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -61.56 -42.88 99.48 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 121.199 -0.2 . . . . 0.0 110.505 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.24 90.35 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.16 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.57 91.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.407 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -61.16 -39.95 92.02 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.375 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.6 -34.02 76.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.402 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -91.71 10.72 27.15 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.721 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 55.62 49.29 16.78 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.142 0.496 . . . . 0.0 111.108 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -134.77 145.57 48.53 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 12.2 p -98.39 -19.42 17.74 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.265 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -88.89 148.01 24.06 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 63.0 mt -103.19 129.83 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 13.2 pt -125.23 160.93 52.65 Favored Pre-proline 0 N--CA 1.473 0.713 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.165 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -51.02 -31.76 36.09 Favored 'Trans proline' 0 N--CA 1.506 2.212 0 C-N-CA 122.249 1.966 . . . . 0.0 111.942 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -63.9 -39.77 94.97 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -67.46 -43.55 80.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.345 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 55.7 mt -61.79 -42.33 98.87 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.61 0.569 . . . . 0.0 111.01 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -66.37 -42.24 88.3 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.241 0.338 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.4 -43.5 98.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.025 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -64.74 -45.55 85.97 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 123.446 0.466 . . . . 0.0 111.065 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.87 -44.31 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.048 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -68.15 -23.33 64.87 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 123.443 0.464 . . . . 0.0 111.04 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -79.25 -17.07 55.46 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -109.8 121.25 44.81 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -65.82 -40.03 91.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.802 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -62.99 -46.79 86.03 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.286 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.13 -38.4 90.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.557 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -60.9 -40.7 94.07 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.279 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -61.71 -45.3 94.54 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.078 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 39.3 tp -65.89 -40.73 91.84 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.389 0.43 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 78.9 mt -92.83 20.58 6.41 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.956 -179.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.64 -39.35 75.27 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -93.01 14.49 17.57 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 70.4 t -122.88 130.67 74.32 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 6.9 t -128.82 144.71 51.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.542 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 64.7 mt -126.04 123.75 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.879 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -136.48 152.22 50.31 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.566 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.05 132.2 49.86 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.384 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.748 0 CA-C-O 117.954 -1.47 . . . . 0.0 110.927 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -98.34 130.35 45.01 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.743 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.6 pt -129.96 162.72 37.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.955 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 0.567 ' CE1' HG22 ' B' ' 14' ' ' THR . 96.9 m-85 -114.06 140.09 48.75 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.121 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.6 t -120.29 127.27 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -113.56 153.0 29.52 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 73.3 p -121.91 160.74 24.15 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.28 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.82 -23.57 65.19 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.4 p -69.6 -19.38 63.65 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 120.482 -1.386 . . . . 0.0 111.352 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.86 15.51 26.34 Favored Glycine 0 C--N 1.352 1.463 0 O-C-N 121.436 -0.79 . . . . 0.0 112.754 -171.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -101.31 125.2 47.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.092 0.446 . . . . 0.0 109.892 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -119.68 128.75 54.1 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.151 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 pt -125.79 136.33 61.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.537 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.567 HG22 ' CE1' ' B' ' 4' ' ' PHE . 51.9 p -79.34 142.44 36.06 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.5 tp -139.22 140.35 37.72 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 123.951 0.9 . . . . 0.0 110.868 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -110.27 114.43 27.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.772 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -136.82 162.46 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.169 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -110.0 150.45 41.44 Favored Pre-proline 0 CA--C 1.547 0.842 0 O-C-N 123.173 0.296 . . . . 0.0 110.49 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -53.15 -37.89 80.37 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 122.327 2.018 . . . . 0.0 112.489 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -71.37 -19.22 62.3 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.298 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.01 141.74 57.47 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.12 0.263 . . . . 0.0 110.56 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 20.6 p -82.21 163.5 21.85 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.912 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.54 -41.1 91.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.51 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -53.29 -41.65 65.8 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -63.9 -40.34 96.27 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.289 0.368 . . . . 0.0 110.168 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.66 -44.1 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.837 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.46 -39.53 91.19 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.83 89.61 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.294 0.371 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.17 -39.55 94.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.263 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.32 -42.9 98.05 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -57.01 -36.61 70.63 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -67.06 -39.69 86.91 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.194 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.14 -31.76 19.0 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -96.1 -40.63 9.13 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.811 2.044 . . . . 0.0 114.95 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.72 21.44 50.73 Favored Glycine 0 C--N 1.356 1.659 0 C-N-CA 124.556 1.074 . . . . 0.0 111.764 -169.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -99.11 124.06 46.66 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 119.134 -0.46 . . . . 0.0 110.001 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -54.37 137.57 71.98 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.104 1.869 . . . . 0.0 112.301 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.36 -29.22 79.29 Favored 'Trans proline' 0 N--CA 1.502 1.983 0 C-N-CA 122.27 1.98 . . . . 0.0 112.511 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.429 ' HB3' ' HA3' ' B' ' 76' ' ' GLY . 81.8 m-20 -65.53 -38.69 90.38 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 118.069 -1.453 . . . . 0.0 108.435 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -90.41 8.41 33.8 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.297 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -99.47 137.86 37.37 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -117.93 126.73 52.9 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.599 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 61.2 mt -111.98 135.89 52.03 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 94.8 mt -129.69 138.76 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 O-C-N 123.542 0.526 . . . . 0.0 110.538 -178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -123.86 123.45 40.47 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.757 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.71 28.84 14.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.667 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.76 15.11 76.32 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 116.437 -0.347 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -112.77 133.87 54.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 117.021 0.41 . . . . 0.0 110.113 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -63.27 146.67 52.95 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 72.8 mt -114.81 139.43 49.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.152 -179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -90.85 139.06 31.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -64.81 -40.88 95.92 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.341 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.25 3.05 41.63 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-N 116.117 -0.492 . . . . 0.0 113.711 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -106.21 161.54 14.44 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 117.35 0.575 . . . . 0.0 110.908 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 69.6 p -100.08 164.13 12.12 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.731 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.87 -39.57 94.82 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.435 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -57.43 -30.62 65.14 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.709 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -61.54 -36.34 80.29 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.088 0.242 . . . . 0.0 111.31 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -91.7 9.54 32.04 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 23.7 m120 54.87 37.42 28.61 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -79.51 130.12 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -105.51 175.5 5.47 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.826 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -66.56 162.77 20.16 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.214 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 54.36 43.3 30.66 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.095 0.474 . . . . 0.0 110.459 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 33.9 t -108.35 146.04 33.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.294 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.1 m -99.39 124.38 44.47 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -112.47 126.09 54.94 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.245 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -82.89 143.8 30.5 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.741 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.3 tp -111.07 126.37 54.74 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.324 0.583 . . . . 0.0 112.1 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.6 t -130.71 163.94 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 tp -102.82 123.18 45.99 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.605 -178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -91.56 125.13 36.19 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 63.0 mt -98.12 -23.43 15.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.64 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -95.46 138.0 33.75 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.706 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.02 156.28 28.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' B' ' 39' ' ' ASP . . . . . . . . 0 CA--C 1.527 0.824 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -58.91 -38.77 79.68 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.469 0.176 . . . . 0.0 110.536 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 59.9 mtt -82.77 148.74 27.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -156.36 87.22 2.94 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.23 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.99 -19.23 46.1 Favored 'Trans proline' 0 N--CA 1.502 2.028 0 C-N-CA 122.121 1.88 . . . . 0.0 112.802 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 50.3 t -64.28 -42.34 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.249 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 29.6 mt -60.68 -44.15 96.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.17 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -64.6 -39.58 93.99 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.22 0.325 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.82 -39.84 79.82 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.5 mtm -64.9 -39.25 93.24 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.19 -43.71 94.25 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 123.196 0.31 . . . . 0.0 110.91 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -64.48 -44.96 89.34 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.99 -41.62 86.43 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.13 -39.25 94.13 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.787 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -61.87 -43.16 99.41 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.318 0.386 . . . . 0.0 110.774 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -67.18 -40.16 86.52 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -66.57 -45.1 80.38 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.397 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.14 -32.72 72.27 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -59.77 -43.42 94.35 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.27 -37.8 88.79 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.474 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 72.2 mtp85 -64.09 -40.85 97.13 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.405 0.441 . . . . 0.0 111.199 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.62 -46.83 86.43 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.235 0.334 . . . . 0.0 110.113 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.43 -41.54 89.05 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.34 89.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.568 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.89 -38.09 87.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.922 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -61.58 -43.39 98.95 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 72.7 mt -64.65 -41.56 96.03 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -59.48 -42.67 92.64 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -71.02 -42.75 69.15 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.357 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 49.2 mtm -63.21 -44.23 95.9 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.15 0.281 . . . . 0.0 111.439 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -62.5 -41.87 99.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.178 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.55 -33.84 73.35 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.412 0.445 . . . . 0.0 110.416 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -60.49 -40.43 91.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.385 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -54.91 -37.44 66.37 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.453 0.471 . . . . 0.0 110.348 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' C' ' 685' ' ' ARG . 79.0 mtp180 -64.0 -33.49 75.85 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.867 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' C' ' 684' ' ' ARG . 99.3 mtt180 71.53 59.43 0.16 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.894 0.746 . . . . 0.0 110.494 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 39.7 m -127.57 129.99 48.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.119 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 18.3 t -72.17 103.72 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.093 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 30.4 p -76.83 163.46 26.75 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.696 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -120.17 -176.48 3.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.389 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -46.28 128.56 9.86 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.048 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -64.54 -41.53 96.3 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.581 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -62.51 151.01 46.92 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 58.1 m -132.36 157.26 44.94 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.555 0.217 . . . . 0.0 110.508 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 15.0 p -120.77 132.99 68.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.153 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 53.49 98.32 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.92 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -58.77 -46.59 87.15 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.295 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -117.63 141.9 47.84 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.126 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 60.7 mt -74.68 140.9 44.53 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.628 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 59.3 mt -129.7 155.21 46.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -117.42 118.7 32.94 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 10.3 t -152.91 94.28 1.84 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 18.2 t -64.59 -40.57 95.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.47 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -90.72 142.98 27.2 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.565 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 75.2 mtm -63.64 -42.59 98.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -150.97 148.63 28.62 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.535 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -67.72 -36.76 88.07 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.9 74.69 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.484 0.183 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 59.7 tttm . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.383 179.816 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -115.3 157.44 23.79 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.626 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -78.32 175.49 10.19 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.898 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 t -103.46 97.06 7.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.73 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -105.29 -2.53 23.88 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.712 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.8 p -63.09 -41.54 99.43 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.7 mt -65.93 -42.8 92.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.673 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CZ ' ' HD3' ' A' ' 115' ' ' PRO . 91.5 m-85 -64.89 -43.8 91.7 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.137 -178.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.9 -38.24 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -57.5 -40.1 77.94 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 123.383 0.427 . . . . 0.0 109.986 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.98 -42.08 98.74 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.182 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.9 t -59.9 -42.3 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.071 179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 44.8 tp -61.98 -37.94 86.7 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.638 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -62.99 -38.2 90.2 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -37.09 21.84 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.631 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.2 -34.83 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -151.19 78.26 7.22 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.521 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.26 -41.74 73.35 Favored 'Trans proline' 0 N--CA 1.503 2.05 0 C-N-CA 122.349 2.033 . . . . 0.0 113.141 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -67.9 -45.79 73.42 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 m -86.11 127.35 34.68 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.0 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.75 -173.59 30.65 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.1 tt -129.21 142.15 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.401 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 t -80.02 154.51 28.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.124 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -58.58 -30.89 67.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 121.202 -0.936 . . . . 0.0 109.781 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.91 -46.04 79.72 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 120.448 0.166 . . . . 0.0 110.826 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.67 -37.01 83.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.1 ttt -62.37 -43.55 98.56 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.403 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.62 84.43 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.78 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.9 -43.21 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 67.6 mtp -62.72 -38.26 89.78 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.199 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -61.97 -41.86 98.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.919 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 m -65.17 -35.2 80.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.445 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -61.49 -44.1 97.69 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.78 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -59.93 -45.03 95.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -63.56 -41.69 98.4 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.503 0.502 . . . . 0.0 111.182 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.88 -44.79 91.98 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.349 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.4 mm -63.18 -42.46 96.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -57.41 -45.66 84.35 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.374 0.421 . . . . 0.0 110.622 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.46 -43.61 89.8 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.357 0.411 . . . . 0.0 111.798 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -63.57 -46.33 86.34 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.203 0.314 . . . . 0.0 111.451 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 89.7 mt -66.91 -43.08 89.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.2 82.66 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.29 -43.05 95.81 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -66.95 -43.77 82.29 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.64 94.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.2 t -62.39 -44.31 96.75 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.49 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -62.72 -41.8 99.33 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.067 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.35 -42.41 98.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.637 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.53 82.64 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 123.315 0.384 . . . . 0.0 110.356 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -66.33 -42.4 88.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.332 -0.394 . . . . 0.0 109.962 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -60.05 -42.24 94.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.974 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -91.36 -0.98 57.73 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 54.93 41.44 31.9 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 111.283 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -100.93 117.51 35.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.263 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.0 m -62.76 -39.08 93.05 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.431 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.6 m -99.47 136.8 38.88 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.9 mt -97.37 134.37 35.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.8 p -125.37 176.11 7.01 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.079 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.3 m -54.98 -32.5 61.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.814 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.44 -43.65 96.61 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.051 0.219 . . . . 0.0 111.502 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mp0 -66.38 -43.05 87.01 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.7 mt -65.03 -39.51 85.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.611 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 59.6 tp60 -55.36 -47.18 76.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.092 0.245 . . . . 0.0 110.666 -178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.9 m -62.05 -44.16 97.27 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.204 0.315 . . . . 0.0 110.182 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.08 97.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.982 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.93 -45.32 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -62.72 -38.44 90.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.62 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.54 -33.36 69.07 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.1 mt -85.26 -35.91 21.24 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.8 mp -88.66 135.4 32.38 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -51.46 179.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.504 2.115 0 C-N-CA 122.327 2.018 . . . . 0.0 111.861 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.71 75.6 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-O 120.095 -0.281 . . . . 0.0 113.172 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -68.74 -41.35 79.08 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.942 0.371 . . . . 0.0 111.702 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.2 -41.49 99.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.204 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.7 -41.2 96.18 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 123.409 0.443 . . . . 0.0 111.624 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.92 -48.69 80.67 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.249 0.343 . . . . 0.0 110.862 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -72.12 -36.45 69.42 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.434 0.459 . . . . 0.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.83 85.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.311 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.68 -45.07 98.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.247 -179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.9 m -64.22 -40.01 95.16 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.46 -48.19 76.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.366 1.067 . . . . 0.0 111.913 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.69 -44.77 47.74 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.2 m -61.18 -46.82 88.91 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.353 0.12 . . . . 0.0 111.148 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -63.01 -37.25 86.41 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.481 0.488 . . . . 0.0 110.945 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.97 86.22 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.6 t -69.21 -40.51 80.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.1 m -59.64 -43.99 93.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.325 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -60.05 -38.27 82.31 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 123.292 0.37 . . . . 0.0 110.103 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -60.92 -45.58 94.1 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 m -64.9 -42.58 94.64 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.574 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.6 t -73.44 -35.38 65.77 Favored 'General case' 0 N--CA 1.439 -1.001 0 O-C-N 121.569 -0.707 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.4 m -98.97 110.55 23.14 Favored 'General case' 0 C--N 1.344 0.367 0 O-C-N 121.807 -0.558 . . . . 0.0 110.975 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.99 -20.43 9.37 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.809 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.4 p -63.64 -33.01 74.66 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.786 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.0 138.37 9.17 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.349 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -84.57 -55.62 4.03 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.152 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.9 m -77.87 159.03 29.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.45 -42.01 88.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.5 p -65.41 -32.77 74.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.3 t -62.67 -41.2 98.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.969 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.91 -35.77 81.75 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.17 -36.21 40.72 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.68 28.28 43.5 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.4 mt -107.6 140.72 40.19 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.588 0.232 . . . . 0.0 110.473 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -66.82 -40.43 88.04 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.78 146.25 95.01 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.639 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.404 ' HD3' ' CZ ' ' A' ' 16' ' ' TYR . 38.6 Cg_endo -69.41 103.1 1.05 Allowed 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 121.993 1.796 . . . . 0.0 112.131 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.5 t -64.68 -42.31 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.422 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.64 -42.42 97.82 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -65.36 -37.43 87.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.55 0.175 . . . . 0.0 111.312 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.1 t -60.18 -45.49 95.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.52 -47.72 83.2 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.276 0.36 . . . . 0.0 110.531 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.56 -37.68 83.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 14.8 tp -61.0 -42.58 98.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.15 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.4 mt -61.97 -42.42 99.11 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.245 0.341 . . . . 0.0 110.738 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -64.64 -40.94 96.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.51 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.84 -39.56 94.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.12 -4.49 22.45 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 57.08 30.71 18.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.863 0.331 . . . . 0.0 111.619 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -68.62 -39.87 80.63 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.421 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.2 p -151.48 161.47 42.64 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.564 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.31 -39.32 82.05 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -136.49 149.69 48.31 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.009 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.55 137.17 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -74.64 -176.21 36.16 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -90.08 -52.5 4.92 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.732 0.301 . . . . 0.0 110.686 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.34 -27.51 69.46 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.75 -62.09 6.43 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.474 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -60.12 -32.22 94.35 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 C-N-CA 121.877 1.718 . . . . 0.0 111.593 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 89.5 t -64.54 -44.16 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.44 -45.92 91.92 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 42.0 tp -61.34 -41.12 96.52 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.49 0.494 . . . . 0.0 110.288 -179.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.13 84.79 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.4 0.438 . . . . 0.0 110.664 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.0 -40.17 94.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.8 -46.36 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.919 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 73.3 mt -63.46 -41.45 98.63 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.433 0.458 . . . . 0.0 110.64 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -62.63 -43.6 98.4 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.35 -48.15 81.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.74 -41.07 98.09 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 84.5 m -61.85 -46.05 91.15 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.685 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.96 83.58 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.561 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.45 -42.73 82.62 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.488 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.62 -43.65 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 123.295 0.372 . . . . 0.0 110.138 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.92 -40.28 97.13 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.764 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.97 -48.39 82.06 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.164 0.29 . . . . 0.0 110.792 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.14 -41.36 97.23 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.478 179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.25 85.16 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.386 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.66 -41.46 99.59 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -62.87 -42.38 99.74 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.15 86.65 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.13 -36.92 85.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.86 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -62.09 -43.0 99.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.129 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -67.1 -23.2 65.81 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.976 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -96.14 12.46 30.69 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.851 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 56.13 38.37 29.8 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.022 0.439 . . . . 0.0 111.16 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -115.5 147.79 40.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.581 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 42.9 p -107.01 22.62 15.71 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.397 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -144.98 144.03 30.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.291 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 64.0 mt -96.23 125.75 49.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 25.2 pt -120.13 166.2 15.83 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.221 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.77 -34.43 54.49 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.325 2.017 . . . . 0.0 112.191 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.69 -43.07 99.75 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -64.74 -43.81 92.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.1 mt -62.13 -42.3 99.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.944 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -65.68 -41.79 92.01 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.266 0.354 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.44 -43.16 98.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.205 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -65.48 -45.57 83.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 -179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.75 -43.94 96.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.237 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -64.64 -34.21 77.76 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -76.32 -16.03 59.85 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.239 0.337 . . . . 0.0 111.758 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -106.79 113.36 26.81 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -60.92 -40.16 92.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.327 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.87 -48.2 82.89 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.283 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.94 -34.78 78.75 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.099 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.21 -39.63 87.25 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 123.579 0.549 . . . . 0.0 109.734 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -45.22 93.76 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 123.243 0.34 . . . . 0.0 110.329 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.4 tp -64.89 -41.17 95.85 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 89.1 mt -98.4 20.8 12.04 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.166 -179.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.33 -33.9 72.48 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -94.11 5.82 50.51 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 74.0 t -129.98 125.65 60.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 41.7 m -124.6 129.78 51.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.756 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 71.4 mt -121.38 128.07 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.932 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -167.44 -59.38 0.03 OUTLIER 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.675 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 59.25 161.71 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.982 -1.454 . . . . 0.0 110.98 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.4 ttp . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -105.45 135.78 46.21 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.311 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 29.9 pt -133.22 158.15 42.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.232 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -114.24 133.73 55.42 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.9 t -111.36 125.06 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -111.8 152.34 27.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.141 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -125.78 166.7 16.34 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.709 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.77 -20.14 65.89 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.364 0.415 . . . . 0.0 111.195 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 55.6 p -69.56 -24.67 63.74 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 120.072 -1.643 . . . . 0.0 111.199 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.23 2.58 38.59 Favored Glycine 0 C--N 1.356 1.65 0 O-C-N 121.245 -0.909 . . . . 0.0 112.795 -174.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -89.02 151.75 22.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 117.214 0.507 . . . . 0.0 110.141 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -132.2 132.84 43.52 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.427 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 pt -124.78 136.6 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.11 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -80.63 133.19 35.7 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 tp -137.24 140.23 41.52 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 122.047 -0.408 . . . . 0.0 110.765 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -107.07 117.62 34.55 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.26 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.1 m -137.73 160.9 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.904 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -103.05 150.13 37.54 Favored Pre-proline 0 CA--C 1.544 0.734 0 O-C-N 123.318 0.386 . . . . 0.0 110.54 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.75 -30.51 89.4 Favored 'Trans proline' 0 N--CA 1.505 2.175 0 C-N-CA 122.374 2.049 . . . . 0.0 112.513 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 25.0 t -79.82 -17.0 54.39 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.58 149.88 47.98 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.025 0.203 . . . . 0.0 110.801 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 17.3 p -85.2 158.94 20.22 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.2 mm -65.11 -42.2 93.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.935 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.7 -39.94 68.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.186 0.304 . . . . 0.0 110.298 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -64.05 -39.18 93.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.149 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 66.9 t -61.31 -43.49 96.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.769 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 53.3 mttp -58.83 -40.2 83.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.69 87.51 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 123.289 0.368 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.88 -38.8 92.34 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.196 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -62.44 -42.05 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -57.29 -36.97 71.72 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.21 -35.28 80.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.249 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -91.16 -35.26 14.65 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.664 ' HB3' HG12 ' B' ' 36' ' ' ILE . 33.1 mm-40 -101.71 -39.58 7.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.558 1.943 . . . . 0.0 116.128 174.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.12 31.19 20.76 Favored Glycine 0 C--N 1.356 1.662 0 C-N-CA 124.498 1.047 . . . . 0.0 111.779 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.664 HG12 ' HB3' ' B' ' 34' ' ' GLU . 32.2 mm -93.31 116.56 66.66 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-O 118.948 -0.549 . . . . 0.0 110.703 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -43.88 113.64 0.44 Allowed 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.39 2.06 . . . . 0.0 111.646 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -52.52 -39.32 74.97 Favored 'Trans proline' 0 N--CA 1.505 2.179 0 C-N-CA 122.401 2.067 . . . . 0.0 113.175 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -66.92 -35.12 79.28 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 118.521 -1.272 . . . . 0.0 108.528 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -87.36 11.43 14.48 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.967 -171.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -128.0 149.66 50.26 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.658 0.266 . . . . 0.0 110.89 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -115.87 144.43 44.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.122 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 38.0 mt -111.5 129.94 55.88 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 90.1 mt -124.43 131.37 72.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.875 -178.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -126.8 123.77 38.15 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 71.94 14.46 5.83 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.082 0.238 . . . . 0.0 110.897 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.66 14.98 64.41 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 120.179 -0.234 . . . . 0.0 113.549 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -124.26 136.21 53.97 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -54.25 161.64 1.27 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.5 mt -124.88 136.37 53.73 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.471 0.482 . . . . 0.0 111.082 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -82.69 134.73 35.14 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.68 -39.27 93.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.888 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.5 -12.94 77.59 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-N 115.978 -0.555 . . . . 0.0 113.144 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -91.54 157.42 17.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 117.258 0.529 . . . . 0.0 110.984 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -102.06 167.43 10.03 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.604 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.3 -41.83 97.64 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -57.96 -31.03 66.49 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.357 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -61.71 -35.25 77.48 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.242 0.339 . . . . 0.0 111.131 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -92.1 13.1 19.88 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.335 0.397 . . . . 0.0 111.89 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 55.7 46.5 22.45 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.125 0.488 . . . . 0.0 111.044 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.8 mt -93.24 124.71 45.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -107.95 -175.36 2.76 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.883 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -53.64 147.52 11.22 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.356 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 58.86 86.04 0.09 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.394 0.433 . . . . 0.0 110.315 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 81.2 p -130.92 156.49 44.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.504 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.8 m -115.11 122.5 46.32 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.337 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 86.3 mt -115.74 129.0 56.29 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.135 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -94.77 147.6 23.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.148 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.2 tp -110.54 129.86 55.7 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.162 0.506 . . . . 0.0 111.459 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.74 165.08 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.523 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 13.3 tp -108.74 116.27 31.66 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -86.01 134.04 33.88 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 43.7 mt -116.37 70.06 0.76 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.061 -179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -141.33 144.33 34.52 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.755 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.46 -166.52 34.31 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.614 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -120.84 29.19 7.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 65.3 mtt -95.98 19.92 10.84 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.245 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.95 138.91 79.55 Favored Pre-proline 0 CA--C 1.551 1.007 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.408 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -55.94 -39.27 92.2 Favored 'Trans proline' 0 N--CA 1.507 2.313 0 C-N-CA 122.745 2.296 . . . . 0.0 112.852 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.9 -40.16 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.353 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 41.6 mt -60.16 -42.05 94.12 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.153 0.283 . . . . 0.0 110.493 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -63.84 -41.86 97.72 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 123.333 0.395 . . . . 0.0 110.269 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.28 -38.78 85.63 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.617 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 72.2 mtm -65.37 -37.43 86.99 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.62 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -60.97 -44.4 97.37 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.189 0.306 . . . . 0.0 110.627 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.93 -44.68 92.14 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 123.425 0.453 . . . . 0.0 110.584 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -65.45 -39.16 91.72 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.804 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 24.5 mt -63.46 -36.74 84.75 Favored 'General case' 0 CA--C 1.527 0.076 0 O-C-N 123.443 0.464 . . . . 0.0 110.659 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -61.43 -44.65 96.75 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.25 0.344 . . . . 0.0 110.329 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -74.66 -37.35 62.75 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.571 0.544 . . . . 0.0 110.782 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -64.03 -45.88 86.92 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.232 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -64.23 -35.25 80.22 Favored 'General case' 0 CA--C 1.52 -0.174 0 O-C-N 123.484 0.49 . . . . 0.0 110.572 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.82 -46.19 91.5 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.0 -38.51 75.98 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.044 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -64.57 -39.53 93.91 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.701 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -64.62 -45.57 86.32 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.198 0.311 . . . . 0.0 110.268 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.03 -41.18 87.01 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -62.66 -38.67 91.21 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.633 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.99 -38.22 87.78 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.048 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.26 -42.25 99.17 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.315 0.384 . . . . 0.0 110.266 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.23 -43.34 95.23 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.278 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -60.09 -42.57 94.9 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.168 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -70.31 -41.53 73.16 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.58 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 49.7 mtm -63.49 -46.42 86.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.548 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -65.05 -40.54 94.88 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.29 -34.91 79.05 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.767 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.63 -37.28 86.74 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.749 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -54.21 -44.08 71.32 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.16 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -65.89 -38.85 89.83 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.692 0.62 . . . . 0.0 111.245 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 50.65 94.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.032 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 18.7 p -114.46 159.08 20.74 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.76 -44.54 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.025 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 28.3 m -106.74 157.18 17.92 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.366 0.416 . . . . 0.0 110.882 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -73.85 148.49 42.33 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.299 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -90.4 -4.19 57.21 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.445 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.96 -41.0 99.39 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-O 120.492 0.187 . . . . 0.0 110.579 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 77.74 -129.88 9.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 45.0 p -143.91 165.13 28.6 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.563 0.221 . . . . 0.0 110.511 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.52 -46.71 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.93 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -91.76 111.02 22.38 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -84.93 -34.92 22.39 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.518 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -79.09 138.13 37.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.259 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 22.8 tp -92.35 139.7 30.34 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.186 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 70.2 mt -130.89 151.08 51.69 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.206 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -60.68 -35.82 77.2 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 24.4 t -58.7 -41.49 86.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.564 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 15.4 m -91.17 82.74 5.5 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 123.441 0.463 . . . . 0.0 110.549 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -64.47 -44.1 92.09 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 62.5 mtt -67.02 -38.38 85.82 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.7 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 53.78 55.96 7.79 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.715 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 125.44 151.45 7.98 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.69 97.2 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.592 0.234 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.561 179.754 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -130.47 148.22 52.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.67 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -112.68 122.4 47.55 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 p -104.98 81.33 1.72 Allowed 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.246 0.546 . . . . 0.0 110.133 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -99.56 30.23 3.69 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.361 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.4 m -59.98 -42.91 95.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.031 0.443 . . . . 0.0 110.355 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.14 -42.05 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -64.07 -43.43 95.49 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.047 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.9 p -62.45 -36.44 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -57.51 -42.14 82.21 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.51 -42.1 91.44 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.596 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.15 -40.85 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.2 tp -59.93 -36.12 76.37 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.794 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -65.49 -38.71 90.55 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -35.95 34.86 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.113 -178.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 p -79.54 -35.49 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -176.5 91.76 0.26 Allowed Pre-proline 0 CA--C 1.548 0.884 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.37 -23.15 38.49 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.227 1.951 . . . . 0.0 113.148 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -66.28 -38.85 88.77 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.656 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.2 p -89.06 138.95 30.95 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.925 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.02 179.19 23.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.8 tt -138.17 142.44 35.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 p -81.97 159.19 23.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.302 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.0 m -62.58 -33.3 74.69 Favored 'General case' 0 CA--C 1.499 -1.018 0 C-N-CA 124.184 0.994 . . . . 0.0 110.51 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.55 -40.02 92.38 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 123.498 0.719 . . . . 0.0 110.222 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.35 -35.61 81.43 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.066 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.7 mmm -61.3 -44.39 97.29 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.899 0.38 . . . . 0.0 110.017 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.42 -41.72 99.75 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.92 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.81 -44.36 98.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.25 -35.29 80.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.367 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.17 -41.19 99.19 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -68.45 -32.54 72.62 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.76 -43.91 97.42 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.95 -43.37 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.941 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -63.15 -41.6 99.31 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.526 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.26 -48.58 81.12 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.172 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.7 -41.89 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.953 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -56.14 -47.26 78.52 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.672 -178.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -67.63 -41.86 83.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.174 0.296 . . . . 0.0 111.554 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -63.71 -45.98 87.51 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.211 0.319 . . . . 0.0 111.729 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.56 -42.74 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 O-C-N 123.26 0.35 . . . . 0.0 110.071 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.05 71.84 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.323 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.79 -43.77 82.73 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -65.21 -41.02 94.89 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.77 93.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.7 p -61.83 -41.14 97.43 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -62.05 -41.57 98.27 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.88 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.04 -40.06 94.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.811 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.04 -37.73 86.05 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.29 0.368 . . . . 0.0 110.343 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -62.33 -44.49 96.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.162 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.24 -41.1 99.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -86.59 0.24 54.8 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.755 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.7 tttt 53.56 34.03 17.63 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.789 0.328 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.2 mtt-85 -100.55 115.39 30.03 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.307 179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.0 p -64.46 -39.58 94.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.338 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 m -94.7 132.5 39.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.788 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.0 mt -93.34 134.77 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 72.3 p -125.85 176.62 6.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.919 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.8 p -54.85 -32.03 60.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.962 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -61.26 -43.99 97.97 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.086 0.241 . . . . 0.0 111.421 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 mp0 -66.95 -43.81 82.22 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.61 0.243 . . . . 0.0 110.8 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.7 mt -63.86 -42.39 95.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.837 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -56.23 -42.22 76.94 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.339 0.4 . . . . 0.0 110.861 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -62.3 -45.91 91.13 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.296 0.372 . . . . 0.0 110.257 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.84 90.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.546 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.4 t -62.92 -46.01 97.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.538 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -63.37 -38.85 92.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.168 0.292 . . . . 0.0 111.526 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.98 -34.23 68.77 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -83.3 -37.69 23.11 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.24 147.5 53.66 Favored Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -55.2 166.07 2.56 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.313 2.009 . . . . 0.0 111.71 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.26 90.7 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.504 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -66.98 -45.03 78.94 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.861 0.33 . . . . 0.0 111.256 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.31 -38.34 90.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.724 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.41 96.57 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.438 0.461 . . . . 0.0 111.626 -178.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.18 -47.91 83.98 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.066 0.229 . . . . 0.0 111.044 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -71.89 -36.66 70.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.628 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.08 -37.95 84.5 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.274 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.4 t -62.19 -43.16 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -63.36 -39.91 95.82 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.0 -45.69 73.37 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 123.971 0.909 . . . . 0.0 111.662 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.0 -40.53 95.28 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.8 m -61.98 -42.35 99.04 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -59.44 -41.2 89.08 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.354 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.81 99.48 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.171 0.294 . . . . 0.0 110.249 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.3 -44.94 94.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 m -61.04 -42.9 99.35 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.197 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -61.03 -40.27 92.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CZ ' ' CZ ' ' A' ' 109' ' ' ARG . 69.4 t80 -64.01 -42.84 97.0 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.4 p -70.76 -36.24 73.0 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.89 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.4 m -80.83 -30.27 35.81 Favored 'General case' 0 CA--C 1.495 -1.138 0 C-N-CA 127.015 2.126 . . . . 0.0 112.422 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.0 p -52.68 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.36 1.024 0 C-N-CA 123.475 0.71 . . . . 0.0 111.192 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 70.53 -63.31 0.41 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.508 0.323 . . . . 0.0 111.341 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.6 p -56.67 -41.4 77.21 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.076 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.27 147.25 31.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.516 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -104.43 -44.17 4.99 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.382 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -70.47 146.9 49.98 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.771 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -65.56 -42.16 92.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.473 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.1 p -68.06 -39.29 83.03 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.227 0.33 . . . . 0.0 111.022 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.2 p -62.21 -40.37 95.9 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.358 0.411 . . . . 0.0 111.082 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.45 ' CZ ' ' CZ ' ' A' ' 97' ' ' TYR . 79.8 mtp180 -64.17 -34.74 78.78 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.89 -28.57 27.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.64 20.95 79.86 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 76.7 mt -97.36 130.14 44.54 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -57.91 -44.29 86.73 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.608 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -62.87 134.44 95.6 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.481 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.11 106.72 0.22 Allowed 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.053 1.835 . . . . 0.0 111.992 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 89.6 t -65.19 -42.29 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.387 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.23 -42.9 93.65 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -64.8 -38.29 90.5 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.714 0.257 . . . . 0.0 111.251 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.6 t -60.84 -44.64 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -60.71 -46.05 91.86 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.707 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -66.4 -38.63 87.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.36 -42.38 99.36 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.641 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.78 -43.57 98.58 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.179 0.299 . . . . 0.0 111.135 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.52 -39.47 91.86 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.452 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -62.24 -38.55 89.67 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.484 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.69 -8.06 13.58 Favored Glycine 0 CA--C 1.541 1.662 0 N-CA-C 111.959 -0.457 . . . . 0.0 111.959 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 59.46 32.58 21.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 117.107 0.454 . . . . 0.0 111.349 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -69.29 -40.33 77.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.394 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.1 p -148.14 163.99 35.26 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.533 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -67.25 -39.05 86.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.09 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -133.42 151.47 51.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.951 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.79 139.35 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -82.32 176.06 53.68 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -87.87 -46.42 9.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.984 0.421 . . . . 0.0 110.549 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.24 -31.31 80.31 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -55.61 -62.03 5.21 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.507 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.37 -31.82 93.2 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 121.881 1.721 . . . . 0.0 111.809 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.72 -46.81 95.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -62.27 -44.18 97.13 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.148 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 33.3 tp -63.34 -41.79 98.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.629 -179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.14 -39.31 82.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.13 88.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.118 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.46 -45.05 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.23 -41.59 98.55 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.4 -40.77 93.84 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.401 0.438 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -61.15 -47.7 85.02 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.663 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 41.1 mt -61.92 -39.64 92.72 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.796 -179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.3 m -58.55 -42.24 87.43 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.98 90.04 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.499 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -63.76 -41.82 97.92 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.385 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 89.9 mt -66.07 -42.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.415 -179.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.52 -41.71 97.72 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.09 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.22 -37.86 81.3 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.151 0.282 . . . . 0.0 110.736 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 65.7 mt -64.97 -42.71 94.34 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.55 84.46 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.436 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -59.1 -42.5 97.08 Favored Glycine 0 C--N 1.337 0.598 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -62.36 -43.32 99.09 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.85 92.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.998 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.72 -39.03 90.08 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.104 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -62.06 -37.68 85.89 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.497 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.35 -34.79 75.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.279 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -97.41 10.46 39.64 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.717 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 51.85 36.61 18.54 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.931 0.396 . . . . 0.0 111.421 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -112.94 126.53 55.58 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.986 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 41.2 p -74.25 -36.87 63.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.156 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -83.12 147.32 28.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.941 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 73.7 mt -98.99 127.68 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 25.2 pt -119.63 165.93 16.18 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.146 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.46 -33.77 48.52 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.154 1.903 . . . . 0.0 112.203 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.69 -41.45 99.11 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -67.03 -44.35 80.46 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.17 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.04 -43.55 98.59 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 -179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.81 -43.7 92.27 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.02 -40.89 99.1 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.988 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -63.54 -39.3 94.05 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.5 0.5 . . . . 0.0 111.247 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.0 -43.89 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -72.5 -22.13 61.09 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.851 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -77.97 -16.4 58.18 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.78 118.72 37.27 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -64.4 -45.13 88.95 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.86 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -66.03 -44.96 83.14 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.2 0.312 . . . . 0.0 111.276 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.7 -36.0 82.42 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -60.0 -38.96 84.14 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.899 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.06 -44.21 96.45 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.237 0.336 . . . . 0.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.59 -41.92 98.31 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.233 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 63.2 mt -101.26 21.92 13.27 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.169 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -51.48 -41.41 48.84 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -103.46 55.88 0.74 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.359 0.599 . . . . 0.0 110.664 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 60.9 t -136.25 131.2 48.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.849 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 72.7 m -118.84 123.26 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.793 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.2 -15.86 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.702 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.64 80.02 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 122.922 0.139 . . . . 0.0 110.935 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 58.06 168.27 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.085 -1.397 . . . . 0.0 110.894 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -104.37 151.61 23.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.919 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.1 pt -145.03 164.19 12.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.646 178.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -116.4 138.09 51.63 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.59 127.07 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -113.95 137.38 51.77 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.209 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.5 p -105.61 161.87 14.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.483 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.73 -19.75 65.18 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.269 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.4 p -70.81 -20.31 62.59 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.277 -1.514 . . . . 0.0 111.536 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.51 15.3 21.39 Favored Glycine 0 C--N 1.356 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 112.705 -172.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -93.99 151.17 19.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.99 0.395 . . . . 0.0 110.871 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -135.09 124.83 25.33 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.687 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 pt -127.97 134.92 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -87.61 132.61 34.01 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.606 -0.684 . . . . 0.0 109.666 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 tp -134.84 137.54 43.39 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 124.003 0.921 . . . . 0.0 111.024 -174.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -106.05 119.53 39.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.456 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.19 164.01 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -109.24 150.18 40.72 Favored Pre-proline 0 CA--C 1.543 0.675 0 O-C-N 123.192 0.308 . . . . 0.0 110.489 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.29 -31.12 54.96 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 122.077 1.852 . . . . 0.0 112.478 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 91.2 p -84.59 -12.42 54.09 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -66.78 142.32 57.41 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.7 0.285 . . . . 0.0 110.638 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 11.4 p -82.09 160.63 23.13 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.99 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.4 mm -64.12 -41.5 92.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.448 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -54.97 -40.54 70.14 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -62.62 -41.09 98.81 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.7 -44.63 99.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.36 -39.14 89.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.805 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.04 -38.43 86.13 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.291 0.369 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.97 -38.67 92.04 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.67 -42.26 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -56.71 -37.27 70.7 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.31 -35.96 82.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -81.26 -45.73 15.83 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.52 ' OE1' HD11 ' B' ' 36' ' ' ILE . 42.9 mt-10 -93.86 -36.89 12.01 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 126.965 2.106 . . . . 0.0 115.812 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 27.95 47.1 Favored Glycine 0 C--N 1.355 1.639 0 C-N-CA 125.995 1.759 . . . . 0.0 111.922 -172.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.52 HD11 ' OE1' ' B' ' 34' ' ' GLU . 61.1 mt -99.72 139.24 20.69 Favored Pre-proline 0 CA--C 1.552 1.048 0 CA-C-O 119.098 -0.477 . . . . 0.0 109.874 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -55.35 120.51 8.32 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 122.109 1.872 . . . . 0.0 112.245 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.21 -37.45 94.3 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.25 1.967 . . . . 0.0 112.643 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -29.66 70.99 Favored 'General case' 0 N--CA 1.435 -1.219 0 O-C-N 120.716 -1.24 . . . . 0.0 108.876 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -87.67 11.54 14.93 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.028 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -116.75 135.09 54.04 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -112.54 125.09 53.87 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -103.5 141.31 36.22 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 98.9 mt -131.62 138.76 52.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.09 -179.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -124.36 125.28 44.06 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.55 29.63 11.67 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.496 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.15 16.89 75.55 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.504 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -107.98 134.99 50.1 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 117.384 0.592 . . . . 0.0 110.158 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.64 133.85 52.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 123.374 0.421 . . . . 0.0 110.178 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 52.9 mt -111.07 132.17 54.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.684 -179.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -97.26 144.04 27.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.049 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -61.86 -36.03 80.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.595 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.66 -3.38 72.58 Favored Glycine 0 CA--C 1.536 1.402 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.013 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -101.2 160.66 14.21 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 117.425 0.613 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.5 p -104.2 164.55 11.65 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.697 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.87 -38.09 89.82 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.486 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.6 p -57.75 -28.83 64.28 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.922 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.47 -37.08 82.29 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.074 0.233 . . . . 0.0 111.204 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -93.8 8.03 42.65 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.291 0.37 . . . . 0.0 111.707 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.0 m120 54.11 70.54 0.6 Allowed 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 111.225 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.3 mt -108.31 127.19 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -106.85 -175.39 2.78 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.79 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.0 152.31 7.75 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.136 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 53.13 82.27 0.08 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.128 0.489 . . . . 0.0 110.268 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.8 t -129.95 148.82 51.85 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.371 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.7 m -110.25 122.78 48.48 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.545 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 74.5 mt -115.16 128.39 56.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.978 179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.42 145.73 24.7 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.076 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 29.9 tp -110.79 130.71 55.5 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.418 0.628 . . . . 0.0 111.911 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.9 t -130.79 166.13 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.121 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.4 tp -105.3 112.73 25.94 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.521 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -81.12 129.45 34.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.6 mt -100.34 -7.55 24.35 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -92.68 138.11 31.78 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.029 0.206 . . . . 0.0 110.45 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.16 -165.35 50.56 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.889 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -66.74 -45.67 77.86 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.52 0.188 . . . . 0.0 110.624 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 57.1 ttm -59.04 -50.4 74.22 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.403 0.44 . . . . 0.0 110.436 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 2.5 t70 44.63 68.84 2.86 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.537 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.68 -12.38 31.06 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 122.045 1.83 . . . . 0.0 112.835 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.2 t -62.61 -42.06 94.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 32.0 mt -60.21 -42.8 95.93 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.251 0.344 . . . . 0.0 110.769 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.8 mtm-85 -63.7 -41.58 98.09 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.64 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.9 -39.04 83.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.8 mtm -64.82 -38.58 91.47 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.8 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -61.67 -44.4 97.03 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.268 0.355 . . . . 0.0 110.708 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.49 -43.88 79.86 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.31 0.381 . . . . 0.0 111.085 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.7 -38.51 89.43 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.395 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.88 -41.0 99.25 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.409 0.443 . . . . 0.0 110.954 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -62.26 -43.41 98.89 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.218 0.324 . . . . 0.0 110.657 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -72.7 -34.88 67.45 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.393 0.433 . . . . 0.0 110.895 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -65.34 -45.81 82.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.438 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.52 -32.29 72.98 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.722 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -60.34 -44.12 95.82 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.14 -37.71 88.42 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.199 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -62.67 -36.92 84.45 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.188 0.305 . . . . 0.0 110.859 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -64.19 -46.52 83.59 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 123.373 0.421 . . . . 0.0 109.916 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.38 -42.47 87.91 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -62.85 -39.57 94.79 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.627 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.39 -38.98 91.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.031 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.69 -41.95 99.38 Favored 'General case' 0 C--N 1.337 0.053 0 O-C-N 123.396 0.435 . . . . 0.0 110.336 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 79.6 mt -65.49 -42.26 92.35 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -60.24 -44.05 95.55 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.81 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -70.73 -40.7 72.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.53 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 50.0 mtp -63.56 -48.87 75.7 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.652 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -63.37 -42.01 98.84 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.521 0.513 . . . . 0.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.82 -35.13 79.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.517 178.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -62.8 -39.25 93.68 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.562 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -52.89 -43.77 66.42 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.343 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -64.77 -45.17 87.49 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.366 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 34.94 41.19 0.06 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.307 0.575 . . . . 0.0 112.351 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 22.2 p -85.27 -63.46 1.32 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.19 160.3 22.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 11.0 m -72.86 149.77 43.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.501 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -131.3 143.45 50.54 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -129.38 141.03 51.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.426 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.56 41.86 2.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.252 0.549 . . . . 0.0 110.542 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -126.78 -57.33 0.14 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 78.2 p -69.38 -28.83 66.53 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.434 0.138 . . . . 0.0 110.991 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 11.9 p -60.86 -42.09 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.285 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -77.74 175.7 9.71 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.631 0.582 . . . . 0.0 110.534 -179.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 63.58 121.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.341 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -70.55 162.05 29.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.398 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.59 -42.8 99.38 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.747 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 40.9 mt 61.84 151.5 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.48 0.488 . . . . 0.0 110.289 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 148.61 28.47 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.402 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 4.4 m -90.45 121.33 32.32 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.418 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 41.5 m -60.48 -42.89 97.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.644 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -143.91 -53.83 0.35 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 99.0 mtp -128.83 141.6 51.24 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.568 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -75.08 141.66 43.78 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.685 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 82.13 108.81 0.41 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.17 90.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.593 0.235 . . . . 0.0 110.59 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.557 179.905 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.62 143.56 44.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.604 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 53.51 24.75 4.26 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.707 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -112.93 -55.08 2.57 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.35 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 55.03 24.47 6.03 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.221 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.3 -40.32 97.04 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.008 0.432 . . . . 0.0 111.123 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.52 -43.06 87.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . 0.418 ' CZ ' ' HD3' ' A' ' 115' ' ' PRO . 78.0 m-85 -63.46 -44.47 94.35 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.988 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.5 p -62.12 -36.48 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -55.86 -45.08 78.55 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.95 -40.59 93.88 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.483 0.489 . . . . 0.0 110.226 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.83 -42.06 91.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.65 -38.54 85.17 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.899 -178.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.34 -38.29 90.5 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 123.202 0.314 . . . . 0.0 111.582 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -35.82 37.54 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 123.376 0.423 . . . . 0.0 110.828 -178.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.2 p -78.88 -29.04 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.635 -178.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.53 86.81 0.34 Allowed Pre-proline 0 CA--C 1.55 0.945 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -65.18 -28.96 55.97 Favored 'Trans proline' 0 N--CA 1.504 2.128 0 C-N-CA 122.365 2.044 . . . . 0.0 112.893 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.84 -43.36 99.0 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.888 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -82.89 154.47 24.59 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.597 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.37 175.3 15.65 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.36 135.48 54.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 110.186 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -78.68 155.51 29.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.394 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.0 p -60.51 -33.31 72.45 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 122.112 -0.368 . . . . 0.0 110.065 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.45 -39.37 81.49 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 122.743 0.417 . . . . 0.0 110.464 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.57 89.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.6 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.3 mtp -62.93 -42.51 99.82 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.79 -38.31 95.04 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.3 mm -62.3 -44.62 99.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.8 mmm -70.96 -31.29 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.467 179.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -59.71 -45.75 91.19 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.034 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.1 m -69.4 -31.84 70.46 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.48 0.488 . . . . 0.0 110.049 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -62.2 -42.53 99.38 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.934 179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -67.54 -48.12 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -65.9 -40.05 91.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.059 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.58 -47.9 83.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.527 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.4 mt -68.84 -36.01 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 O-C-N 123.576 0.547 . . . . 0.0 110.052 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -55.15 -48.09 74.19 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.328 -178.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.28 -39.24 78.48 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.33 0.394 . . . . 0.0 111.686 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -62.63 -48.16 80.59 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.66 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.9 mt -63.71 -43.15 97.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.31 -40.45 77.91 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.488 0.493 . . . . 0.0 111.084 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.51 -44.81 94.65 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -66.55 -40.86 89.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.22 99.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.367 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.4 m -62.27 -41.64 98.65 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.187 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.77 -41.21 98.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.21 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.72 -39.46 94.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.636 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.83 85.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.364 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -64.16 -43.33 95.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.975 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -64.0 -38.94 92.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.213 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -85.95 -1.41 57.29 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.971 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.52 36.37 27.02 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.867 0.365 . . . . 0.0 111.292 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -101.05 134.17 44.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.503 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 m -86.67 -15.48 39.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.581 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.8 m -117.85 131.19 56.58 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.667 0.27 . . . . 0.0 110.409 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.7 mt -89.35 132.39 34.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.8 p -129.51 179.06 6.02 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.175 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -56.72 -32.34 65.42 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.645 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -61.46 -43.81 98.2 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.159 0.287 . . . . 0.0 111.337 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -65.69 -44.27 86.69 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.204 0.315 . . . . 0.0 110.511 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.1 mt -64.78 -41.39 92.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.012 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.97 -45.09 74.93 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.103 0.252 . . . . 0.0 110.976 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.3 m -64.2 -44.67 91.23 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.236 0.335 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.98 89.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.852 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.1 -45.3 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.266 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -63.81 -37.81 88.77 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.358 0.411 . . . . 0.0 111.386 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.6 -33.47 66.72 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.4 mt -86.32 -37.25 18.69 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.35 146.55 38.09 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -55.31 160.89 7.89 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.379 2.052 . . . . 0.0 111.359 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.51 -47.25 57.59 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.692 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.43 -44.88 77.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.912 0.356 . . . . 0.0 111.72 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.48 -40.06 96.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.497 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.92 86.76 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.385 0.428 . . . . 0.0 112.017 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -58.74 -45.64 89.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.415 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 34.5 m-70 -70.62 -36.42 73.45 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.285 0.366 . . . . 0.0 111.268 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.21 -37.85 84.47 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.296 -179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.7 t -63.63 -41.72 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.305 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.1 m -62.05 -47.95 82.44 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -67.93 -35.74 78.95 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 123.06 0.544 . . . . 0.0 111.457 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.68 -46.89 88.58 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.394 -0.683 . . . . 0.0 111.394 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -62.65 -44.48 96.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -62.39 -39.77 94.33 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.794 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.84 -44.15 94.24 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 81.3 t -66.7 -40.47 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 m -59.57 -40.01 85.95 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.915 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -60.65 -44.39 96.48 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.335 0.397 . . . . 0.0 110.018 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -60.52 -46.29 90.71 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.4 p -68.57 -33.64 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.744 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.6 m -68.51 -57.11 6.28 Favored 'General case' 0 CA--C 1.491 -1.319 0 O-C-N 119.974 -1.704 . . . . 0.0 111.405 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -55.52 123.37 13.74 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 123.58 0.55 . . . . 0.0 111.103 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.26 -40.76 70.77 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.714 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.4 p -150.91 141.6 22.71 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.563 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.47 123.8 3.91 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.365 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -65.65 -41.2 92.82 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.912 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.0 m -95.56 129.75 42.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -64.58 -42.98 95.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.165 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.1 p -62.12 -42.77 99.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.8 m -61.1 -40.1 92.45 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.567 0.542 . . . . 0.0 110.563 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -65.21 -36.19 83.4 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.398 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -80.25 -27.05 38.73 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.336 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 75.95 31.94 54.4 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 42.7 mt -111.98 132.36 54.82 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.425 0.155 . . . . 0.0 110.757 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.33 -43.9 92.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.374 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -63.26 146.27 96.24 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.375 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . 0.418 ' HD3' ' CZ ' ' A' ' 16' ' ' TYR . 38.4 Cg_endo -69.47 105.42 1.44 Allowed 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.021 1.814 . . . . 0.0 112.034 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.3 t -64.76 -42.74 95.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.401 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.28 -44.56 96.42 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.45 -38.76 92.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.472 0.136 . . . . 0.0 111.198 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.0 t -60.36 -43.67 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -61.55 -43.92 97.99 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -66.16 -41.33 90.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.205 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.06 -41.08 99.37 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.395 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.78 -42.63 99.25 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.309 0.38 . . . . 0.0 110.772 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -66.9 -37.31 84.13 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.87 -38.05 89.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.28 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.69 -7.15 19.92 Favored Glycine 0 CA--C 1.54 1.596 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 56.92 31.82 20.42 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 117.015 0.407 . . . . 0.0 111.372 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -65.18 -41.55 94.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.519 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.9 t -148.47 159.85 43.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -63.78 -38.63 91.81 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -131.33 142.47 50.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.409 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.33 138.57 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.286 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -85.24 173.28 48.15 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -89.3 -35.06 16.34 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.398 -0.401 . . . . 0.0 110.954 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.13 -35.28 91.55 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.781 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.53 -60.04 11.89 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-O 118.96 -0.543 . . . . 0.0 110.645 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_exo -53.49 -37.33 82.32 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 121.724 1.616 . . . . 0.0 111.694 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.41 -47.59 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -62.59 -46.53 87.87 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.308 0.38 . . . . 0.0 110.391 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.27 -41.22 98.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.589 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.7 79.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.88 -40.2 87.72 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.355 0.409 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 -179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.87 -41.48 97.9 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.13 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -65.54 -39.55 91.86 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 68.9 t80 -61.77 -48.69 79.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.544 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.53 -40.67 97.52 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.9 m -62.0 -43.34 99.05 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.603 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.11 88.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.764 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -65.62 -42.92 90.98 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.324 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 83.5 mt -65.14 -42.75 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 123.312 0.383 . . . . 0.0 110.186 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.8 mt -62.16 -40.55 96.39 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.622 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -66.04 -47.81 73.14 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.231 0.332 . . . . 0.0 110.69 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 63.9 mt -65.23 -41.29 94.54 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.547 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.69 84.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.427 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.9 -41.08 99.61 Favored Glycine 0 C--N 1.338 0.678 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -63.28 -42.25 99.07 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.11 89.4 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.78 84.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.797 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -60.72 -42.56 97.53 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.762 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -64.83 -31.74 73.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.544 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -89.68 9.52 26.74 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.69 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 56.45 46.52 20.6 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.192 0.52 . . . . 0.0 111.131 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.51 146.11 50.24 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.52 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 58.0 p -108.79 17.72 21.55 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.307 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -129.73 137.61 50.67 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 69.5 mt -93.94 130.51 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 20.9 pt -133.23 165.54 35.94 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.984 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.19 -34.49 39.68 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.21 1.94 . . . . 0.0 112.203 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.25 -40.2 96.76 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -67.37 -40.44 85.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.95 -41.47 98.02 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.827 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -61.68 -42.58 99.11 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 123.295 0.372 . . . . 0.0 110.137 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.19 -40.75 97.09 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.472 0.483 . . . . 0.0 110.922 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.39 96.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.424 0.452 . . . . 0.0 111.586 -179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 66.4 mt -70.93 -43.2 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.743 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -68.34 -36.18 78.87 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.422 ' C ' ' OD1' ' A' ' 178' ' ' ASN . 31.1 p30 -77.18 -9.1 58.55 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.283 0.364 . . . . 0.0 111.843 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -116.17 113.66 23.38 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -58.69 -42.62 89.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.62 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -60.59 -48.31 82.32 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.321 0.388 . . . . 0.0 111.288 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.95 -36.02 82.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -59.53 -36.72 76.67 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.973 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.14 -45.16 82.0 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.214 0.321 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.96 -43.25 96.37 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 71.9 mt -104.79 22.07 15.81 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -54.09 -41.26 68.8 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -95.93 12.07 31.63 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 83.7 t -124.52 129.5 73.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.1 m -116.46 136.54 52.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.711 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 36.0 mm -85.11 127.73 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.96 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -64.41 142.69 58.33 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.727 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -108.37 129.18 55.25 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.284 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 117.975 -1.458 . . . . 0.0 111.036 -179.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.0 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -109.83 134.39 52.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.203 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.7 pt -132.34 149.81 32.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.114 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -106.59 142.78 35.69 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -122.3 127.42 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -111.39 151.69 28.2 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.292 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -121.43 165.63 15.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.588 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.16 -25.17 67.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.1 p -69.16 -20.18 64.01 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 119.844 -1.785 . . . . 0.0 111.235 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.04 8.46 47.74 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 121.402 -0.811 . . . . 0.0 112.731 -171.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -83.93 151.74 24.9 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 117.252 0.526 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.8 m -131.94 127.47 36.43 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.344 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.6 pt -124.99 134.51 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.975 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 80.9 p -83.11 140.56 32.57 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -141.29 131.11 24.31 Favored 'General case' 0 C--N 1.345 0.372 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.406 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -109.14 115.47 30.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.178 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.89 159.22 26.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.062 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -101.29 157.59 33.38 Favored Pre-proline 0 CA--C 1.539 0.552 0 O-C-N 123.377 0.423 . . . . 0.0 110.697 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.34 -35.37 64.38 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.247 1.964 . . . . 0.0 112.395 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.3 p -71.62 -18.61 62.2 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.205 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.22 139.53 58.49 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.658 0.266 . . . . 0.0 110.634 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.2 p -84.55 155.02 22.3 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.911 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.5 -42.06 94.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.738 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.44 -39.96 73.98 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.167 0.292 . . . . 0.0 110.261 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -62.74 -39.16 93.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.041 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.75 -42.25 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.46 -39.51 83.88 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.392 0.433 . . . . 0.0 110.733 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.4 94.46 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.3 0.375 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.47 -39.96 95.12 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.041 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.11 -41.72 93.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.38 -38.49 68.93 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -69.17 -33.74 73.88 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.086 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -76.14 -45.94 31.15 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -93.79 -38.78 11.09 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.752 1.621 . . . . 0.0 115.202 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.53 29.6 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 125.594 1.569 . . . . 0.0 111.911 -169.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.5 mt -101.91 137.22 19.46 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-O 119.161 -0.447 . . . . 0.0 110.202 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.0 128.89 28.54 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.032 1.821 . . . . 0.0 112.094 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -55.14 -37.08 94.34 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.21 1.94 . . . . 0.0 112.76 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.436 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 64.2 m-20 -65.02 -29.7 70.63 Favored 'General case' 0 N--CA 1.428 -1.558 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -86.48 12.28 10.67 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.885 0.874 . . . . 0.0 111.279 -171.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -129.87 144.77 51.48 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.685 0.279 . . . . 0.0 111.318 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -118.06 145.61 44.69 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.885 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -112.99 128.32 56.47 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 88.0 mt -125.83 131.49 71.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -125.91 125.48 42.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 71.03 12.8 6.98 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.191 0.307 . . . . 0.0 110.666 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.52 9.84 74.71 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 119.762 -0.466 . . . . 0.0 113.028 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -115.05 136.7 52.84 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -53.8 156.18 2.91 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.8 mt -120.97 145.67 47.49 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -91.69 130.9 37.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.949 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -65.5 -35.71 81.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.556 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.93 -12.76 79.05 Favored Glycine 0 CA--C 1.534 1.265 0 O-C-N 123.495 0.497 . . . . 0.0 112.981 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -93.93 157.06 16.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.204 0.502 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.0 p -94.2 166.35 12.15 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.809 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.33 -41.88 98.93 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.1 p -59.2 -27.89 66.14 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.34 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.25 -35.16 76.51 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.239 0.337 . . . . 0.0 110.887 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -91.55 11.32 24.56 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.239 0.337 . . . . 0.0 111.817 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 56.55 36.95 28.38 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.7 mt -73.15 125.46 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -100.87 -178.54 3.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.753 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -56.17 142.4 37.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.245 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 56.01 92.87 0.03 OUTLIER 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.137 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.3 t -130.55 146.74 52.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.512 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.7 m -103.36 122.86 45.71 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.36 0.413 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.0 mt -116.93 126.88 53.63 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.93 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -89.16 145.75 25.23 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 tp -112.04 131.75 55.23 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.086 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 6.7 t -131.11 167.87 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.4 tp -104.34 119.19 38.41 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -178.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.436 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 71.2 ttt-85 -84.68 134.38 34.36 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 47.8 mt -127.36 73.9 1.47 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.141 0.496 . . . . 0.0 111.315 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -148.62 145.07 27.6 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.752 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.47 -167.25 50.23 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.822 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -111.02 128.81 55.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.602 0.239 . . . . 0.0 110.713 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 74.6 mtm -65.31 -40.35 93.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.51 124.69 71.13 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.25 -14.05 31.21 Favored 'Trans proline' 0 N--CA 1.504 2.099 0 C-N-CA 122.247 1.965 . . . . 0.0 112.907 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 50.1 t -60.92 -42.24 92.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 52.3 mt -59.61 -43.98 93.58 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.195 0.31 . . . . 0.0 110.954 -179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -65.96 -41.67 90.93 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.624 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.09 -40.15 94.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.8 mtm -63.88 -38.71 92.08 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 -179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.89 -42.04 97.22 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.235 0.335 . . . . 0.0 110.448 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -62.44 -43.78 98.0 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.4 -42.68 92.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.013 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.91 -38.25 90.33 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -60.7 -43.61 97.56 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.413 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -69.45 -36.14 76.34 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.461 0.476 . . . . 0.0 110.29 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -63.57 -45.07 92.12 Favored 'General case' 0 C--N 1.341 0.232 0 O-C-N 123.42 0.45 . . . . 0.0 109.837 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -64.29 -35.56 81.26 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.64 0.587 . . . . 0.0 110.585 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.08 -45.73 91.92 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -69.65 -38.25 77.05 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -64.97 -38.88 92.43 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.362 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.41 -46.57 82.68 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.308 0.38 . . . . 0.0 110.142 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.2 -41.58 94.39 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.14 89.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.449 179.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.83 -37.91 86.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.087 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.03 -42.39 98.37 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.301 0.376 . . . . 0.0 110.242 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.02 -43.77 94.6 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.637 -0.425 . . . . 0.0 109.932 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -60.16 -42.41 94.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.488 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -69.45 -44.51 71.1 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.741 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.25 -44.07 84.76 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.412 0.445 . . . . 0.0 111.634 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -63.99 -42.82 97.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.822 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.56 -35.47 80.3 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.415 0.447 . . . . 0.0 110.863 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -65.23 -40.32 93.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.4 -43.41 90.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -69.8 -43.3 72.37 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -136.1 148.24 48.18 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.475 0.484 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 20.8 p -98.84 42.49 1.1 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 45.7 t -70.29 136.77 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.715 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 5.9 m -59.03 156.81 11.12 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -59.32 -25.75 64.43 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.941 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -58.82 133.19 55.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.444 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -144.27 156.4 44.26 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.676 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 163.98 101.4 0.16 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.711 -0.955 . . . . 0.0 110.711 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 28.2 t -159.44 151.27 20.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.536 0.208 . . . . 0.0 110.641 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 49.1 t -126.87 133.32 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.695 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -91.02 -97.08 0.11 Allowed 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 56.44 164.89 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 C-N-CA 122.485 0.314 . . . . 0.0 110.786 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 31.2 m-85 -85.22 144.46 28.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.216 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.18 130.62 43.69 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.542 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 77.7 mt -132.83 153.54 51.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -80.84 68.32 7.05 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.242 0.544 . . . . 0.0 110.404 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 93.6 p -151.92 161.26 42.94 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 9.9 t -86.49 104.33 15.85 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.709 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -126.34 24.89 6.7 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.054 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 65.4 mtt -103.91 141.25 36.48 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.684 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.44 97.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 80.08 51.64 4.95 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -60.28 145.32 47.93 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.546 0.212 . . . . 0.0 110.512 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.512 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -64.08 127.67 32.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.09 -13.72 23.43 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.449 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.23 89.54 0.08 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -100.13 23.03 10.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.276 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.1 p -60.57 -42.07 95.89 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.993 0.425 . . . . 0.0 110.66 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.46 -43.38 91.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.017 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -65.75 -43.67 88.25 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.201 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.89 -35.73 74.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -54.45 -46.27 73.27 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -62.93 -40.0 96.28 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.578 0.549 . . . . 0.0 110.007 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.1 t -60.04 -42.53 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.4 tp -60.41 -38.21 83.29 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.656 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.22 -39.41 92.73 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.48 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -69.37 -36.8 77.18 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.257 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 p -80.91 -40.56 18.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.857 -178.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -171.71 92.75 0.42 Allowed Pre-proline 0 CA--C 1.552 1.052 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.547 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.9 -35.48 98.49 Favored 'Trans proline' 0 N--CA 1.506 2.243 0 C-N-CA 122.667 2.245 . . . . 0.0 113.088 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.67 -46.79 86.44 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.4 p -70.11 132.62 46.1 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.144 0.278 . . . . 0.0 110.815 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.44 173.07 20.92 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 tt -138.97 142.55 33.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.673 0.273 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 p -82.58 157.87 23.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.272 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.9 m -61.87 -33.48 74.27 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 123.67 0.788 . . . . 0.0 109.922 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -67.09 -40.61 86.98 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.323 0.649 . . . . 0.0 110.232 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.94 -34.5 78.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.758 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.4 mmm -61.95 -44.55 96.54 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.232 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.32 -40.98 99.37 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.176 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.42 -44.05 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.85 -37.87 85.29 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.294 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -62.49 -42.28 99.39 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.131 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.7 m -66.09 -35.73 81.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.502 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.82 -45.01 96.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.783 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.5 t -59.77 -45.47 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.71 -39.58 94.48 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 123.374 0.421 . . . . 0.0 111.171 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -62.29 -46.8 87.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.762 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 50.4 mm -64.58 -42.28 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.386 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -56.9 -45.78 82.37 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -64.94 -43.07 93.95 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -64.82 -48.88 72.8 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.247 0.342 . . . . 0.0 111.787 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.6 mt -65.48 -43.38 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.288 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.41 88.69 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.9 -42.19 86.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -66.49 -42.97 86.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.463 0.173 . . . . 0.0 110.561 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.99 93.28 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.368 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -62.43 -43.08 99.66 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.446 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.85 -45.63 92.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.584 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.94 -41.41 97.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.728 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.46 -37.39 87.1 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.327 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -65.03 -41.56 95.14 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.183 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -62.63 -37.63 87.09 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.187 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -87.37 -0.4 56.71 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.076 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 59.46 30.31 19.97 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.833 0.349 . . . . 0.0 111.383 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 79.9 mtp85 -111.74 108.61 18.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.497 179.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.3 p -61.05 -45.72 93.62 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.251 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.5 m -71.32 134.31 46.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -101.7 133.81 44.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.6 p -126.69 178.21 6.06 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.841 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.9 p -56.99 -32.03 65.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.845 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -61.8 -44.61 96.53 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -66.8 -45.02 79.72 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.907 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.1 mt -64.25 -42.34 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.032 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -55.45 -44.22 76.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 123.26 0.35 . . . . 0.0 110.624 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 m -63.55 -44.27 94.65 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.333 0.396 . . . . 0.0 110.116 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.54 87.71 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.537 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.14 -48.39 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 O-C-N 123.39 0.432 . . . . 0.0 110.311 -179.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -68.0 -37.75 81.81 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.184 0.302 . . . . 0.0 111.433 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 5.1 tt -66.95 -34.77 78.5 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.3 mt -90.22 -37.81 13.88 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.6 mp -88.9 149.62 43.88 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.06 162.98 8.38 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.417 2.078 . . . . 0.0 111.574 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.21 -44.3 84.1 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.44 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.6 mp0 -65.15 -46.3 81.46 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.703 0.252 . . . . 0.0 111.446 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.92 -37.95 89.36 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.273 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.35 86.95 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 123.462 0.476 . . . . 0.0 111.474 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.6 -44.44 97.01 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.247 0.342 . . . . 0.0 110.96 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -68.62 -39.56 80.75 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.437 0.461 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.91 -35.61 71.28 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.6 t -62.07 -41.16 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 O-C-N 123.266 0.354 . . . . 0.0 110.166 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -62.46 -45.96 90.69 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.67 -46.21 72.99 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 123.97 0.908 . . . . 0.0 112.047 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.82 -47.73 38.21 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 121.482 -0.39 . . . . 0.0 112.379 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.0 m -62.64 -47.97 81.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.463 0.173 . . . . 0.0 110.892 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.24 -35.54 81.15 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.19 -39.46 79.0 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.24 -37.59 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.3 m -58.43 -39.3 79.42 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.843 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -57.89 -41.02 81.67 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -63.51 -43.38 97.37 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.907 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.4 m -66.77 -41.76 87.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.71 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.1 m -72.46 -35.16 68.18 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 125.533 1.533 . . . . 0.0 111.26 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 78.2 p -62.5 -38.28 89.3 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 123.346 0.658 . . . . 0.0 110.794 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 70.16 -68.46 0.2 Allowed 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.358 0.411 . . . . 0.0 110.417 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.0 p -138.58 103.26 4.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.626 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -104.1 -176.58 3.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.316 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -100.2 -65.97 0.93 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.49 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.8 p -91.59 160.88 15.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.486 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 -63.75 -43.87 95.18 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.464 0.478 . . . . 0.0 111.185 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -66.59 -32.91 74.55 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.418 0.449 . . . . 0.0 110.619 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -66.03 -32.84 74.54 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.3 0.375 . . . . 0.0 111.012 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -62.91 -35.62 80.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.772 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -102.41 -14.36 16.91 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.828 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.12 64.44 4.16 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.4 mt -129.69 142.14 50.77 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.546 0.212 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.68 -44.49 86.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.574 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -66.53 145.29 98.94 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.714 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.61 102.97 0.64 Allowed 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.16 1.907 . . . . 0.0 112.095 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.82 -42.87 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.385 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.05 -43.91 94.9 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -64.63 -36.23 83.59 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.47 0.135 . . . . 0.0 111.208 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -59.97 -44.93 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -60.5 -45.24 94.49 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.352 0.407 . . . . 0.0 110.66 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 -63.88 -40.65 97.03 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.35 -40.8 95.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.429 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.15 -44.65 96.98 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.273 0.358 . . . . 0.0 110.939 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -71.27 -40.94 70.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.798 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -63.79 -39.52 94.45 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.46 -7.36 10.25 Favored Glycine 0 CA--C 1.541 1.692 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.024 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.5 t30 62.08 20.71 11.84 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 117.058 0.429 . . . . 0.0 111.441 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -65.31 -41.72 93.75 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.396 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 83.6 p -145.09 157.57 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.72 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -68.91 -38.57 79.67 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.752 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -129.74 148.56 51.64 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.944 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.2 t -130.95 138.2 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.75 177.29 52.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -92.92 -40.63 10.49 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.863 0.364 . . . . 0.0 110.748 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.82 -27.86 73.12 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.615 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -64.92 -59.84 9.37 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-O 118.931 -0.557 . . . . 0.0 110.266 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_exo -54.36 -33.52 76.94 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.834 1.689 . . . . 0.0 111.013 178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 73.1 t -63.75 -47.85 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -63.35 -47.06 83.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 29.5 tp -62.7 -41.86 99.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.768 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.0 91.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.69 92.97 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.367 0.417 . . . . 0.0 110.998 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.36 -44.69 97.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.268 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 75.3 mt -62.04 -40.47 95.84 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -62.43 -39.74 94.31 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.372 0.42 . . . . 0.0 110.424 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -61.02 -46.69 89.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.43 -41.7 98.9 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.4 m -61.97 -45.07 95.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.731 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.65 88.4 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.749 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -66.72 -42.28 86.57 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.241 0.338 . . . . 0.0 111.324 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.89 -42.98 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.66 -41.71 99.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -67.51 -41.29 84.68 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.177 0.298 . . . . 0.0 110.688 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 61.7 mt -62.03 -40.59 96.22 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.189 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.98 -36.46 84.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.432 179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.3 99.6 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.69 -44.71 96.42 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.52 84.5 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -58.96 -44.39 91.46 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.983 179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -62.04 -39.52 92.6 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.026 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -63.6 -30.74 71.81 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.459 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -96.05 9.38 41.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.716 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 56.27 50.8 12.67 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.095 0.474 . . . . 0.0 111.135 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -143.65 108.65 4.96 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.72 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 10.3 m -61.68 -41.91 98.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.686 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -68.84 147.82 51.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.981 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 65.9 mt -101.61 130.01 51.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.496 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 25.2 pt -124.33 165.73 23.08 Favored Pre-proline 0 CA--C 1.545 0.75 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.083 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.67 -33.82 41.25 Favored 'Trans proline' 0 N--CA 1.501 1.93 0 C-N-CA 122.275 1.983 . . . . 0.0 112.169 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.45 -43.74 98.34 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -66.64 -43.09 85.59 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.05 -42.48 99.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.28 -41.67 85.07 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 39.0 mt -63.29 -40.43 97.36 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.15 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -62.68 -44.2 96.85 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 123.399 0.437 . . . . 0.0 111.076 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.64 -43.76 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.068 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -65.28 -34.26 77.93 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -77.42 -16.76 58.64 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.247 0.342 . . . . 0.0 111.654 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -103.03 115.69 31.09 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.5 -42.31 98.52 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.739 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -60.99 -49.1 78.83 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.573 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.44 -38.01 88.62 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.752 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -59.08 -41.37 87.88 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.321 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -64.24 -44.61 91.29 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.465 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 28.3 tp -64.03 -41.52 97.4 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.711 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 69.7 mt -99.88 20.06 14.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.131 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.31 -38.76 69.68 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -97.6 17.82 16.9 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 75.6 t -123.06 129.1 75.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.9 t -110.99 129.81 55.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.343 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 43.0 mm -64.22 -44.39 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.149 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.1 123.27 10.16 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -111.91 130.21 55.91 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.216 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.996 -1.447 . . . . 0.0 111.021 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -107.66 137.0 46.47 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.975 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -134.39 160.16 41.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.178 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -117.3 134.24 55.04 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.847 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 45.3 t -115.46 127.21 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -109.8 151.71 26.64 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.151 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.3 p -119.43 162.61 18.54 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.369 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.35 -26.8 68.92 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.4 p -69.65 -19.55 63.61 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 120.059 -1.651 . . . . 0.0 111.338 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.09 12.39 36.72 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 121.426 -0.796 . . . . 0.0 112.816 -171.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -85.73 131.78 34.26 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.145 0.472 . . . . 0.0 110.003 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.0 m -112.72 124.01 51.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.714 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 11.4 tt -122.76 133.58 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.485 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -82.32 134.42 35.27 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 123.624 0.769 . . . . 0.0 109.086 177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.3 tp -141.03 141.64 34.29 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 121.467 -0.77 . . . . 0.0 110.807 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -110.54 115.15 29.1 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.404 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -139.38 162.48 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.957 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.02 154.46 37.34 Favored Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 123.208 0.317 . . . . 0.0 110.795 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -54.15 -39.23 86.92 Favored 'Trans proline' 0 N--CA 1.503 2.037 0 C-N-CA 122.364 2.043 . . . . 0.0 112.275 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.2 p -76.84 -9.1 58.45 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.091 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.25 141.21 58.11 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.654 0.264 . . . . 0.0 110.49 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 p -80.87 156.91 25.85 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.5 mm -63.28 -41.78 94.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.514 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -55.5 -39.89 71.02 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -63.19 -39.78 95.62 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.298 0.374 . . . . 0.0 110.079 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.33 -46.47 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.812 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.48 -36.58 84.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.07 93.87 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.26 0.35 . . . . 0.0 110.43 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -63.41 -40.11 96.32 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.886 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.95 -41.29 92.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -55.79 -39.8 71.78 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.79 -40.71 92.21 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.461 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -78.33 -45.04 23.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -87.93 -39.58 14.64 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.003 1.721 . . . . 0.0 114.124 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.08 27.45 31.08 Favored Glycine 0 C--N 1.351 1.405 0 C-N-CA 124.868 1.223 . . . . 0.0 111.799 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -101.82 133.38 20.78 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-O 119.229 -0.415 . . . . 0.0 109.983 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -48.12 130.1 19.74 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.014 1.81 . . . . 0.0 112.185 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -61.95 -35.65 76.1 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.262 1.974 . . . . 0.0 112.661 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.77 -34.17 75.12 Favored 'General case' 0 N--CA 1.432 -1.359 0 O-C-N 121.292 -0.88 . . . . 0.0 108.671 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -81.53 5.84 16.68 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.394 -173.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -105.6 134.66 48.36 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 120.854 0.359 . . . . 0.0 111.279 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.422 ' NH2' ' HB2' ' C' ' 676' ' ' LEU . 0.0 OUTLIER -113.3 126.59 55.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.585 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.36 135.91 49.64 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -124.17 139.57 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -125.26 122.56 37.29 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.57 26.7 14.71 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.44 75.11 Favored Glycine 0 CA--C 1.536 1.405 0 N-CA-C 112.185 -0.366 . . . . 0.0 112.185 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -112.21 135.55 52.74 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.972 0.386 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -61.04 146.64 46.5 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.304 0.377 . . . . 0.0 110.457 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -115.67 134.03 55.44 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.061 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -92.49 139.95 30.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.946 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.05 -42.78 99.55 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.879 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.04 -18.63 64.9 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.184 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -90.43 156.54 18.14 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.135 0.467 . . . . 0.0 111.231 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.2 p -98.82 167.65 10.63 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.773 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.4 -39.15 93.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.511 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.5 t -58.1 -31.69 67.37 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.68 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.95 -34.71 76.62 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.102 0.251 . . . . 0.0 111.079 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.03 12.39 22.07 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.178 0.299 . . . . 0.0 111.748 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 55.13 56.27 6.7 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.174 0.511 . . . . 0.0 111.17 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.5 mt -100.24 124.13 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -100.57 -173.81 2.49 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.729 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.78 142.06 58.35 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.867 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 57.7 87.21 0.07 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.241 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.9 p -131.23 154.77 48.09 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.453 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.8 m -107.85 120.4 42.16 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 73.8 mt -116.51 127.43 54.54 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.146 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -85.47 140.3 30.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.038 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.8 tp -111.12 133.11 53.74 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.916 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.9 t -134.83 164.37 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.586 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 16.6 tp -98.3 116.36 30.37 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.721 -178.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -78.72 134.27 37.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 39.1 mt -124.99 16.72 8.53 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.394 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -61.6 -39.08 89.95 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.541 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.54 155.19 26.06 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.57 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -65.73 -38.72 89.91 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.659 0.266 . . . . 0.0 110.763 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 95.6 mmm -110.23 165.29 11.88 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.562 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.71 52.39 0.6 Allowed Pre-proline 0 CA--C 1.554 1.113 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.56 -5.54 16.17 Favored 'Trans proline' 0 N--CA 1.503 2.084 0 C-N-CA 122.274 1.983 . . . . 0.0 112.711 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 48.8 t -61.07 -41.42 89.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.21 -42.94 96.22 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.042 0.214 . . . . 0.0 111.086 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -66.56 -39.71 88.64 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.175 0.297 . . . . 0.0 110.689 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.64 -38.27 77.1 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.181 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 72.5 mtm -63.88 -40.86 97.51 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.996 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.56 -46.1 87.44 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.237 0.335 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.09 -43.69 74.03 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.81 -38.69 89.62 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.318 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 25.6 mt -61.98 -42.8 99.54 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.296 0.372 . . . . 0.0 111.221 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.1 -41.7 97.18 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.276 0.36 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.94 -39.86 72.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -65.08 -47.25 77.96 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.435 -179.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.85 -32.95 74.76 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.759 0.662 . . . . 0.0 111.065 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -60.44 -42.31 95.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.37 -39.1 91.86 Favored 'General case' 0 C--N 1.339 0.114 0 O-C-N 123.444 0.465 . . . . 0.0 110.581 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -64.43 -40.0 94.9 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.347 0.404 . . . . 0.0 110.799 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.84 -45.95 83.97 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.305 0.378 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -64.28 -42.34 96.46 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.68 94.18 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.632 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.29 -38.37 90.91 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.304 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -62.3 -43.35 99.04 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.487 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . 0.422 ' HB2' ' NH2' ' B' ' 42' ' ' ARG . 60.9 mt -66.72 -39.92 88.2 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.99 -39.67 86.54 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.924 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.94 -45.53 74.02 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.427 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 65.5 mtm -65.44 -43.93 88.9 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.259 0.35 . . . . 0.0 111.419 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -63.54 -40.99 98.45 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.471 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.01 -34.66 78.6 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.497 0.498 . . . . 0.0 110.631 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -62.09 -38.25 88.15 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -56.57 -41.1 76.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.225 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -76.45 -26.56 55.57 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.386 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -46.44 106.72 0.09 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.05 0.452 . . . . 0.0 110.597 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 68.5 p -82.85 168.1 17.44 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.13 -41.97 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 14.7 m -50.23 165.81 0.08 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.839 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -51.97 -65.38 0.57 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.673 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 46.41 40.07 7.43 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.94 133.28 55.94 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.366 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -102.9 151.23 18.01 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 21.3 p -154.03 164.65 38.11 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.512 0.196 . . . . 0.0 110.596 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.85 127.76 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -150.21 119.61 6.89 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.003 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.65 90.29 0.02 OUTLIER 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.4 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 54.45 -166.73 0.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.233 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 26.6 tp -115.5 126.86 54.81 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.641 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -107.45 132.8 52.81 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.514 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 73.9 ttp85 -62.85 -41.83 99.51 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.334 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 28.6 t -58.5 137.61 57.26 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 19.6 m -82.57 177.96 8.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -84.83 114.63 22.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.598 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 69.8 mtm -62.53 -41.09 98.63 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -67.13 143.82 56.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.685 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -93.39 -10.82 59.01 Favored Glycine 0 CA--C 1.537 1.408 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.678 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.51 89.93 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.673 0.236 . . . . 0.0 110.63 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 85.6 tttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.341 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.36 -41.51 96.68 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -107.77 130.9 54.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.216 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -103.98 83.96 2.18 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.439 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -106.63 25.88 10.66 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.385 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 72.0 p -58.74 -43.12 90.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.973 0.416 . . . . 0.0 110.428 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.9 mt -69.04 -40.82 81.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -65.43 -42.25 92.65 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.142 -178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 p -64.21 -37.54 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.36 -41.17 79.6 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.09 -45.45 92.89 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.214 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.31 -43.28 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.7 tp -59.66 -36.52 76.57 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.601 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -65.0 -37.23 86.97 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.557 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -37.82 37.25 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.756 -178.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -81.03 -29.76 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.762 -178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.85 90.11 0.23 Allowed Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.166 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -68.55 -28.28 31.95 Favored 'Trans proline' 0 N--CA 1.503 2.073 0 C-N-CA 122.528 2.152 . . . . 0.0 113.157 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.78 -44.73 96.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.833 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 p -78.1 137.86 38.43 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.218 0.324 . . . . 0.0 110.816 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.83 174.01 23.09 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.1 tt -135.42 142.14 40.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.674 0.273 . . . . 0.0 110.269 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 p -81.69 159.95 23.8 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.258 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -61.94 -36.88 82.7 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.635 1.174 . . . . 0.0 109.657 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.54 -37.63 85.42 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.823 0.849 . . . . 0.0 110.566 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.03 -36.7 84.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.861 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.4 mmm -62.1 -44.77 95.94 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.235 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.18 99.54 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.232 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.81 -44.33 99.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 98.5 mmm -65.93 -37.67 86.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.106 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -63.15 -41.23 99.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.951 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.4 m -65.89 -35.75 81.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.276 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -60.84 -44.29 97.18 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.0 t -61.33 -44.24 98.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -62.79 -43.47 98.72 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.42 0.45 . . . . 0.0 111.198 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -62.4 -46.65 87.66 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.41 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.61 -42.07 94.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.042 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.17 -45.97 83.18 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.8 -43.59 88.22 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -64.0 -49.28 73.08 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.96 -43.32 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.194 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.2 88.18 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.463 0.477 . . . . 0.0 111.341 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.14 -40.22 96.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -68.96 -41.4 78.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.9 94.27 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.433 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -61.07 -42.34 98.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.21 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.61 -41.45 98.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.963 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.31 -40.15 95.36 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.659 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.62 -38.84 86.05 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.362 0.414 . . . . 0.0 110.36 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -62.86 -44.14 96.92 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.213 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -64.79 -35.64 81.73 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -85.31 2.67 43.12 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 53.91 30.13 11.07 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.814 0.34 . . . . 0.0 111.376 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -125.12 111.2 15.04 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.552 179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.9 p -62.54 -49.06 76.81 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.177 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 m -58.75 116.61 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.422 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 93.2 mt -82.81 136.26 23.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 78.5 p -129.67 173.01 11.02 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 123.705 0.628 . . . . 0.0 111.032 -179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.6 p -57.9 -32.82 68.1 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.759 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.6 mtm-85 -59.83 -43.92 94.31 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.124 0.265 . . . . 0.0 111.269 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.422 ' OE2' ' HA ' ' A' ' 65' ' ' ILE . 94.5 mt-10 -64.62 -42.04 95.78 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.413 0.446 . . . . 0.0 110.407 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.3 mt -64.14 -42.7 96.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.084 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -55.17 -43.47 74.33 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.08 0.238 . . . . 0.0 111.064 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 m -63.03 -46.37 87.86 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.279 0.362 . . . . 0.0 110.425 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.42 87.31 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.656 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.78 -44.88 99.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.38 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -65.05 -37.37 87.34 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.291 0.37 . . . . 0.0 111.581 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.1 mt -73.85 -32.82 63.84 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.7 mt -87.23 -37.5 17.2 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.99 145.18 29.63 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -53.47 -177.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.414 2.076 . . . . 0.0 111.742 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.67 -49.47 59.62 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 116.495 -0.32 . . . . 0.0 113.006 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -68.89 -38.06 79.42 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.834 0.317 . . . . 0.0 111.608 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -62.2 -41.45 98.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.514 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -62.72 -39.0 92.71 Favored 'General case' 0 N--CA 1.462 0.158 0 O-C-N 123.454 0.472 . . . . 0.0 111.697 -179.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.65 -47.29 86.06 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.227 0.329 . . . . 0.0 111.192 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 146' ' ' TYR . 30.3 m-70 -67.5 -37.41 82.77 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.397 0.436 . . . . 0.0 111.475 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.72 83.68 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.199 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 83.6 t -63.76 -39.78 86.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 O-C-N 123.423 0.452 . . . . 0.0 110.355 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -59.96 -51.26 70.43 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.0 -40.98 78.42 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.531 0.332 . . . . 0.0 111.806 -177.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.05 -45.57 71.56 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 121.498 -0.382 . . . . 0.0 112.152 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.1 m -62.55 -47.29 84.5 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.529 0.204 . . . . 0.0 110.669 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.71 -37.84 88.95 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.16 86.05 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.5 t -67.77 -37.85 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.9 m -57.73 -42.85 84.68 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.774 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -60.56 -43.41 97.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -60.88 -44.23 97.38 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.3 p -69.45 -33.86 73.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.472 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.3 t -71.9 -56.58 5.44 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.114 1.766 . . . . 0.0 111.547 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.5 m -63.48 -43.63 96.72 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 117.843 0.292 . . . . 0.0 110.781 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 70.44 -67.44 0.24 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.8 m -123.34 127.16 48.12 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -148.32 157.98 43.82 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.335 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -63.14 -41.7 99.33 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.173 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.9 m -108.38 139.2 43.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -66.3 -41.92 89.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 m -64.8 -32.5 74.23 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.593 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.0 t -60.03 -40.96 91.13 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.47 0.481 . . . . 0.0 110.681 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 93.0 mtm-85 -63.23 -33.69 76.03 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.382 0.426 . . . . 0.0 110.737 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.43 -29.18 26.34 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.636 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.16 30.47 62.9 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.0 mt -109.5 140.63 43.03 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.648 0.261 . . . . 0.0 110.476 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.32 93.11 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.522 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -63.3 144.27 97.54 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -66.44 108.57 1.42 Allowed 'Trans proline' 0 N--CA 1.505 2.183 0 C-N-CA 122.35 2.033 . . . . 0.0 111.903 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 84.4 t -65.25 -42.99 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.266 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.68 -39.91 91.9 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -64.71 -41.88 95.68 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.381 0.134 . . . . 0.0 110.964 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.41 -45.41 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -60.33 -44.36 95.57 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.35 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -66.28 -38.03 86.83 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.633 0.583 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.6 mt -62.6 -41.02 98.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.451 -179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.08 -45.89 92.9 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.341 0.4 . . . . 0.0 110.889 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -66.18 -40.61 90.6 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.736 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.65 -38.72 91.97 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.82 -2.89 19.11 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 111.948 -0.461 . . . . 0.0 111.948 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 58.13 31.29 20.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.957 0.379 . . . . 0.0 111.51 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -64.06 -40.57 96.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.299 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.3 t -155.74 170.43 22.07 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.687 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.17 -39.15 75.46 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -130.15 151.07 51.08 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.954 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.81 139.54 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -84.11 175.22 51.4 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -89.27 -51.41 5.59 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.467 -0.366 . . . . 0.0 110.79 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.71 -31.22 77.24 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -55.78 -62.01 5.33 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 119.05 -0.5 . . . . 0.0 110.523 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.79 -31.0 91.33 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.753 1.635 . . . . 0.0 111.498 178.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.9 -46.11 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -61.38 -44.97 96.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.074 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 31.7 tp -62.47 -41.78 99.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.552 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.58 -40.74 84.03 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.971 -179.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.4 88.71 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.181 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.93 -44.02 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.279 -179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.89 -41.49 99.44 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -60.58 -41.7 95.19 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 85' ' ' HIS . 84.2 t80 -61.14 -47.44 86.22 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.266 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.68 -41.39 99.08 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.1 m -62.09 -45.13 94.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.78 94.94 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.743 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.23 -41.08 86.27 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.257 0.348 . . . . 0.0 111.604 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.22 -43.03 97.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.95 -40.94 99.2 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.625 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.7 -43.89 92.01 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.123 0.264 . . . . 0.0 110.529 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 67.0 mt -63.79 -38.11 89.88 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.104 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.17 -37.44 87.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.373 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.22 -41.86 99.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -62.5 -42.66 99.65 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.61 88.2 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.51 84.62 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.841 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.46 -42.34 95.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.807 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.98 -32.37 73.89 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.493 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -89.94 12.4 17.59 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.813 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 56.8 41.35 28.21 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.078 0.466 . . . . 0.0 111.167 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -128.03 143.03 51.06 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.675 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 13.6 p -96.79 -22.21 17.08 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.013 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -85.14 147.8 26.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.298 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 67.6 mt -105.41 129.12 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 26.4 pt -125.8 165.92 24.21 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.233 -179.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -50.65 -34.72 44.57 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 122.236 1.957 . . . . 0.0 112.052 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -61.54 -41.27 97.1 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -66.5 -43.18 86.02 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.311 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.13 -44.66 96.14 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.72 -43.04 90.3 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.382 0.426 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.08 -42.82 99.71 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.221 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.59 92.61 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.383 0.427 . . . . 0.0 111.201 -179.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.98 -43.31 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -65.43 -34.06 77.42 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.27 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -76.28 -15.5 59.99 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.177 0.298 . . . . 0.0 111.535 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -106.62 117.34 33.8 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.34 -39.8 95.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.725 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.87 -46.78 83.4 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.275 0.359 . . . . 0.0 111.551 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.92 -38.4 90.95 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.335 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -60.13 -38.37 82.86 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 123.548 0.53 . . . . 0.0 109.894 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.58 -45.34 90.85 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.334 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.6 tp -66.85 -41.88 86.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.1 21.7 12.45 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.283 -178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.97 -30.2 60.04 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -112.69 28.61 8.64 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 57.3 t -128.49 128.57 68.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.4 m -107.86 124.15 49.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.445 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 43.2 mm -64.19 -45.43 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.074 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -117.58 95.24 4.86 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.627 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.01 -39.18 90.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.311 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.791 0 CA-C-O 117.917 -1.49 . . . . 0.0 111.094 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptt? . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -95.43 131.29 41.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.779 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 37.8 pt -130.45 155.51 41.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.066 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -106.04 141.94 36.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.913 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -121.39 127.66 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -113.89 152.15 31.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.331 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 63.9 p -126.07 162.91 24.23 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.392 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.81 -19.1 64.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.11 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.7 p -69.43 -21.76 63.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 O-C-N 120.208 -1.558 . . . . 0.0 111.269 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.4 15.02 26.45 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 121.293 -0.879 . . . . 0.0 112.703 -172.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -103.32 149.93 24.26 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.1 0.45 . . . . 0.0 110.151 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.7 m -132.47 129.44 39.22 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.078 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 pt -124.01 138.31 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.452 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.9 t -81.08 139.03 35.92 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 tp -138.01 137.96 38.38 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.787 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -110.2 116.44 31.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.053 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -135.22 161.97 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.079 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -105.95 153.06 40.38 Favored Pre-proline 0 CA--C 1.542 0.637 0 O-C-N 123.193 0.308 . . . . 0.0 110.707 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -56.65 -31.45 87.38 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 122.314 2.009 . . . . 0.0 112.424 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.3 m -81.5 -16.6 51.37 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.9 142.01 58.04 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.006 0.191 . . . . 0.0 110.576 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 33.7 p -79.02 159.98 27.36 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.876 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.89 -42.2 95.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.331 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -56.62 -39.21 73.22 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.245 0.341 . . . . 0.0 110.099 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.58 -39.23 93.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.264 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.66 -45.24 97.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.829 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.07 -36.18 78.94 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.79 95.68 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.254 0.346 . . . . 0.0 110.344 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -39.64 94.33 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.922 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.29 -41.5 92.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -55.71 -38.35 69.61 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.93 -38.04 89.65 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.083 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -83.66 -36.12 24.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.879 ' HG2' HD11 ' B' ' 36' ' ' ILE . 2.1 tp10 -91.81 -37.72 12.78 Favored 'General case' 0 N--CA 1.435 -1.199 0 O-C-N 121.038 -1.039 . . . . 0.0 113.492 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.94 27.9 27.49 Favored Glycine 0 C--N 1.359 1.852 0 C-N-CA 124.16 0.886 . . . . 0.0 111.726 -173.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.879 HD11 ' HG2' ' B' ' 34' ' ' GLU . 52.9 mt -112.25 139.01 22.04 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.249 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.02 129.96 34.27 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.021 1.814 . . . . 0.0 111.82 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.41 -25.42 76.13 Favored 'Trans proline' 0 N--CA 1.503 2.053 0 C-N-CA 122.285 1.99 . . . . 0.0 112.828 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -67.02 -35.97 81.09 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.174 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -88.84 9.18 25.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.869 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -105.74 140.01 39.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 111.694 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 20.3 mtp85 -119.39 129.09 54.62 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.605 178.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.3 130.57 55.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 85.5 mt -121.23 132.21 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 O-C-N 123.653 0.596 . . . . 0.0 110.972 -178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 90.7 t80 -128.52 132.09 48.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 67.21 12.29 8.86 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.888 -178.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.77 11.59 70.52 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-O 120.123 -0.265 . . . . 0.0 112.799 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -120.37 138.08 53.94 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -57.43 152.18 15.0 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.553 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.2 mt -114.54 134.19 55.22 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.172 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -82.05 132.12 35.25 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.681 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -64.51 -35.36 80.7 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.147 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.83 -22.73 73.95 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.392 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 72.0 mtm-85 -89.3 156.14 18.92 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.299 0.55 . . . . 0.0 111.203 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 78.0 p -94.59 167.52 11.43 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.15 -41.42 98.27 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.365 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 96.9 p -57.77 -32.63 67.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.398 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -66.41 -24.64 66.49 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.202 0.314 . . . . 0.0 111.221 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -93.15 8.05 41.72 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.149 0.281 . . . . 0.0 111.745 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 57.03 33.4 23.28 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.04 0.448 . . . . 0.0 111.138 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -77.19 134.67 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -110.61 -174.98 2.6 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.815 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.06 144.16 55.61 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.584 0.553 . . . . 0.0 109.619 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 58.21 82.23 0.14 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.23 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.7 m -127.7 151.78 48.54 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.247 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.5 m -106.13 127.34 53.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.57 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 76.7 mt -118.95 124.69 47.67 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.816 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -89.24 146.55 24.67 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.239 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.2 tp -110.85 132.76 53.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.782 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.36 163.09 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.843 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 15.5 tp -105.51 126.92 52.69 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.574 0.226 . . . . 0.0 111.588 -178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -90.56 135.09 33.92 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 70.2 mt -116.74 -2.62 11.84 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.506 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.33 -45.18 80.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.743 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.02 -148.82 6.53 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.46 132.61 52.28 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 99.4 mtp -111.58 132.87 54.24 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.35 -60.2 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.288 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.99 -20.52 57.46 Favored 'Trans proline' 0 N--CA 1.506 2.234 0 C-N-CA 122.31 2.007 . . . . 0.0 112.957 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.27 -42.18 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 51.8 mt -60.66 -43.84 97.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.077 -179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -65.59 -38.06 88.41 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.12 0.263 . . . . 0.0 110.695 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.25 -40.19 78.0 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 75.0 mtm -65.01 -39.49 93.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.84 -43.73 98.26 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.288 0.368 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.71 -43.78 95.55 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.178 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.14 -39.73 93.43 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.265 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.71 -38.06 89.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -64.07 -42.4 97.01 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.287 0.367 . . . . 0.0 111.114 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.87 -42.27 67.06 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.185 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . 0.425 ' O ' ' HG3' ' C' ' 670' ' ' ARG . 43.9 tt0 -65.28 -48.44 73.17 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.443 0.464 . . . . 0.0 110.449 -179.361 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -63.86 -32.37 73.86 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.65 0.593 . . . . 0.0 111.119 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -58.78 -44.32 90.66 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -35.48 76.43 Favored 'General case' 0 C--O 1.226 -0.156 0 O-C-N 123.574 0.546 . . . . 0.0 110.564 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' C' ' 666' ' ' GLU . 38.9 mtm180 -65.42 -41.28 93.72 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.332 0.395 . . . . 0.0 110.9 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.36 -46.77 78.84 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 123.28 0.363 . . . . 0.0 110.559 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.11 -39.73 86.74 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -62.76 -40.07 96.15 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.667 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.76 -38.23 90.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.128 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -61.7 -41.36 97.49 Favored 'General case' 0 CA--C 1.527 0.06 0 O-C-N 123.423 0.452 . . . . 0.0 110.342 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 48.1 mt -63.1 -43.56 98.15 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.279 0.362 . . . . 0.0 110.063 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.28 -42.95 96.53 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.102 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -69.52 -44.91 70.06 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.319 0.387 . . . . 0.0 111.528 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 68.2 mtm -62.96 -44.04 97.13 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.308 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -62.31 -41.47 98.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.39 -35.95 80.34 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.423 0.452 . . . . 0.0 110.775 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -64.45 -41.34 96.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.47 -23.42 62.72 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.594 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -44.21 90.78 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 60.93 73.8 0.47 Allowed 'General case' 0 C--O 1.238 0.47 0 O-C-N 123.887 0.742 . . . . 0.0 110.723 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 10.8 m -141.6 164.39 30.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.437 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 49.8 t -80.9 130.79 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.08 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 96.6 p -116.26 156.35 26.76 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -68.83 141.41 55.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.515 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -60.37 -43.43 96.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.466 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -91.8 154.87 18.63 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.325 0.391 . . . . 0.0 110.444 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -57.14 150.78 28.37 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 90.6 p -72.32 162.91 28.82 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.24 128.71 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.904 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -123.58 42.76 3.14 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -134.94 154.43 51.7 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.03 142.83 52.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.106 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.14 -59.56 5.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.38 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.3 125.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.387 0.429 . . . . 0.0 110.381 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -60.77 -42.56 97.73 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.284 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 43.8 t -160.16 84.72 0.73 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.391 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 35.3 t -62.56 -44.0 97.41 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.762 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -128.28 135.01 49.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.712 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 78.1 mtm -110.98 136.06 50.55 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.291 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -156.39 156.03 33.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.682 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -122.7 135.21 10.0 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -90.42 149.34 22.29 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.579 0.228 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.306 179.866 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.58 152.53 33.92 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.414 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -70.2 103.91 2.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.894 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -70.77 77.03 0.62 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.446 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -103.78 14.31 31.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.447 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.6 p -59.7 -42.38 92.88 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 120.981 0.419 . . . . 0.0 110.301 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.8 mt -68.13 -41.66 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.38 -43.25 98.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.087 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.4 p -63.76 -37.1 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -56.36 -44.89 80.57 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.98 -42.82 99.08 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.214 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.67 -40.79 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 123.506 0.504 . . . . 0.0 109.867 179.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.0 tp -59.1 -36.99 76.09 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.476 -178.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -65.79 -39.76 91.26 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -75.13 -36.01 61.65 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.44 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -79.33 -35.24 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.899 -178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -169.78 92.13 0.53 Allowed Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 123.282 0.364 . . . . 0.0 110.606 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.55 -35.09 98.91 Favored 'Trans proline' 0 N--CA 1.505 2.198 0 C-N-CA 122.538 2.158 . . . . 0.0 113.006 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -63.6 -40.75 97.73 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.918 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.2 p -78.2 140.81 38.94 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.221 0.326 . . . . 0.0 110.88 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.0 173.72 14.92 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.1 tt -134.05 139.58 48.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.675 0.274 . . . . 0.0 110.479 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -88.12 157.67 18.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.131 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.9 p -59.48 -30.21 68.38 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 123.358 0.663 . . . . 0.0 110.256 -177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.93 -42.48 80.97 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 122.518 0.327 . . . . 0.0 110.646 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.79 -36.07 82.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.203 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.7 mtp -62.2 -42.45 99.3 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.052 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.9 -38.65 96.41 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.03 -43.89 99.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.7 mmm -64.82 -39.17 93.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.478 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -60.64 -41.94 95.96 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.048 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.5 m -64.4 -38.93 92.77 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.481 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.07 -44.65 97.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.999 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.35 -44.19 98.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -63.87 -42.92 97.41 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.338 0.399 . . . . 0.0 111.104 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.18 -45.37 88.69 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.402 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.16 -42.66 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.024 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -58.93 -46.31 88.27 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.357 0.41 . . . . 0.0 110.995 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -64.23 -42.42 96.56 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -67.67 -48.23 67.23 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.217 0.323 . . . . 0.0 111.801 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.21 -43.63 97.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.4 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.22 76.13 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.438 0.461 . . . . 0.0 111.399 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.97 94.33 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -64.23 -42.53 96.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.09 96.55 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.371 0.42 . . . . 0.0 110.573 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.4 m -60.78 -42.93 98.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.29 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.05 -42.26 98.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.364 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.99 -38.73 92.33 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.771 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.96 87.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.466 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -63.98 -44.44 92.69 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.247 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -66.15 -38.15 87.41 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.25 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -86.63 -1.76 57.94 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.105 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 55.64 32.75 19.88 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.805 0.336 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -102.4 114.54 28.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.6 p -64.21 -42.12 96.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.312 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 m -93.42 125.75 38.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.022 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.19 135.86 24.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.6 p -129.27 176.01 8.28 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.101 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.6 m -56.63 -34.86 67.67 Favored 'General case' 0 C--N 1.335 -0.064 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.735 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.6 -43.27 93.78 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.218 0.324 . . . . 0.0 110.63 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -65.28 -40.58 94.05 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.288 0.367 . . . . 0.0 110.33 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.0 mt -65.33 -42.36 93.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.045 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -55.47 -45.91 76.9 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.167 0.292 . . . . 0.0 111.226 -178.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m -62.86 -43.6 98.36 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.252 0.345 . . . . 0.0 110.506 179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.39 93.47 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.836 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.51 -45.21 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.399 -179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.41 -38.88 92.86 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.244 0.34 . . . . 0.0 111.53 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.17 -33.74 59.33 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.5 mt -82.97 -36.87 24.75 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.9 mp -97.53 153.53 38.3 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.02 165.03 11.08 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.361 2.04 . . . . 0.0 111.385 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.76 -46.6 75.0 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-N 116.329 -0.396 . . . . 0.0 112.86 -178.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -62.59 -46.29 89.0 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.785 0.292 . . . . 0.0 111.54 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -64.71 -39.24 93.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.411 -179.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.28 -42.09 94.72 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.337 0.398 . . . . 0.0 111.589 -179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -60.88 -46.97 88.52 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.272 0.357 . . . . 0.0 111.064 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -70.65 -35.39 72.85 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.413 0.446 . . . . 0.0 111.437 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.2 83.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.8 t -63.89 -41.88 93.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 123.33 0.394 . . . . 0.0 110.146 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.4 t -60.2 -44.79 94.83 Favored 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -66.84 -46.19 75.85 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.078 0.551 . . . . 0.0 111.75 -176.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.53 -39.89 86.61 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 93.8 m -60.05 -45.32 93.22 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -62.03 -39.12 91.22 Favored 'General case' 0 N--CA 1.462 0.147 0 O-C-N 123.453 0.471 . . . . 0.0 111.288 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.47 -44.52 96.19 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 123.202 0.314 . . . . 0.0 110.537 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.51 -46.12 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.897 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 43.9 p -60.41 -45.17 94.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -59.63 -37.82 79.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.29 -46.83 88.49 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 m -65.89 -40.29 91.44 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.421 0.451 . . . . 0.0 111.399 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.2 t -67.39 -32.56 73.55 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 125.152 1.381 . . . . 0.0 110.144 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 m -66.98 140.1 57.71 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 122.902 0.481 . . . . 0.0 110.6 -178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.17 118.15 31.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.55 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.0 p 46.78 -89.37 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.377 0 O-C-N 123.49 0.493 . . . . 0.0 111.254 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 63.45 116.7 0.02 OUTLIER 'General case' 0 C--N 1.351 0.633 0 C-N-CA 122.971 0.508 . . . . 0.0 110.155 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -66.79 -44.68 80.66 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.368 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 m -76.25 126.75 31.56 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -67.26 -41.5 85.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -62.17 -33.82 75.24 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.716 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.9 m -64.3 -39.19 93.41 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.375 0.422 . . . . 0.0 111.199 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -62.41 -35.18 78.42 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.63 -20.97 20.32 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.356 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.25 74.39 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.7 mt -95.85 132.81 40.74 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -61.42 -42.09 98.19 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.282 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -68.34 143.39 95.57 Favored Pre-proline 0 CA--C 1.544 0.742 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.674 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.22 91.98 0.46 Allowed 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.18 1.92 . . . . 0.0 111.879 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.2 m -63.2 -36.76 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.831 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.28 -40.93 86.1 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -63.63 -36.38 83.62 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.404 0.102 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.6 t -60.97 -43.65 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -58.46 -44.9 89.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.458 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -66.96 -40.64 87.53 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.35 -41.6 97.31 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.665 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.4 mt -61.17 -42.42 98.54 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.2 0.313 . . . . 0.0 110.967 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -63.36 -43.15 98.49 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.496 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.39 -38.46 91.12 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.384 0.427 . . . . 0.0 110.623 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.77 -7.07 26.94 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.931 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 58.6 31.46 21.1 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.859 0.33 . . . . 0.0 111.493 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -64.11 -41.23 97.33 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.509 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.2 p -153.45 163.35 40.1 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.691 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -64.99 -38.9 92.47 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -133.21 148.87 52.04 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.769 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 51.2 t -129.31 135.89 60.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.3 -179.91 52.95 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -95.33 -37.86 10.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.68 -33.13 85.22 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.815 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -63.35 -59.19 12.69 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-O 119.066 -0.493 . . . . 0.0 110.598 -179.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -54.63 -39.47 88.62 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.753 1.635 . . . . 0.0 111.335 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.9 t -63.85 -45.71 96.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -60.04 -48.43 81.76 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 35.7 tp -63.35 -39.57 94.91 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.6 -40.56 87.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 -179.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.7 87.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.84 -44.25 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.206 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.88 -40.63 96.05 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.91 -39.5 94.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.331 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.89 -46.65 89.79 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.415 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.81 -41.3 97.58 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.073 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 11.2 m -59.81 -45.07 93.51 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.48 -41.08 93.67 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.676 -179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -66.01 -42.12 90.11 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.33 0.394 . . . . 0.0 111.349 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.47 -42.81 96.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.13 -40.95 97.63 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.538 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -63.03 -46.21 88.65 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.269 0.356 . . . . 0.0 110.257 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 76.0 mt -64.96 -40.54 95.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.343 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.74 -37.94 86.11 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.592 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.87 -39.33 97.26 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -62.0 -43.94 97.78 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.93 89.3 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.152 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.24 94.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.344 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -64.96 -37.61 88.23 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.9 -22.76 67.05 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.72 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -100.38 15.51 27.54 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.695 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 59.62 38.09 22.21 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.112 0.482 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -130.85 147.15 52.46 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.585 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 65.4 p -111.44 20.75 16.93 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.065 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -127.23 135.61 50.87 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 74.9 mt -90.8 126.26 43.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 21.2 pt -131.49 164.67 40.96 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.936 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -49.3 -35.33 34.51 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 122.208 1.939 . . . . 0.0 112.146 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -63.37 -40.96 98.7 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.404 0.44 . . . . 0.0 109.892 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -66.41 -40.07 89.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.62 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.6 -42.01 98.26 Favored 'General case' 0 C--O 1.23 0.041 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.621 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -61.54 -42.52 98.95 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.22 0.325 . . . . 0.0 110.366 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.02 -41.82 97.33 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.456 0.472 . . . . 0.0 111.349 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.69 89.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.595 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 46.4 mm -67.72 -43.67 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.34 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -62.77 -35.7 80.68 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.451 0.47 . . . . 0.0 110.951 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -82.4 -16.34 49.41 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.201 0.313 . . . . 0.0 111.734 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -98.49 117.69 33.49 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.07 -41.56 86.17 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.843 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.15 -49.26 70.54 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.575 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.43 -38.55 87.68 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.163 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -59.86 -38.22 81.51 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.76 -45.38 92.94 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.968 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 35.9 tp -66.7 -41.6 87.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.72 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.62 20.55 10.61 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.147 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.37 -33.69 71.92 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -96.3 3.56 52.93 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 90.2 t -124.71 125.63 70.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.262 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.9 m -116.13 122.32 44.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.507 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 42.9 mm -63.52 -44.99 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.976 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.41 -20.1 65.97 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.08 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 58.56 96.23 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.43 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.999 -1.445 . . . . 0.0 110.866 -179.849 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -124.13 143.48 50.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.663 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.4 pt -134.09 161.52 40.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.92 179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -116.82 141.96 47.54 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.53 128.22 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -112.16 152.78 27.93 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.234 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.1 p -123.23 163.5 20.55 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.516 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.85 -21.51 66.02 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.4 p -70.0 -23.06 63.08 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 120.515 -1.365 . . . . 0.0 111.214 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.96 14.64 22.39 Favored Glycine 0 C--N 1.356 1.656 0 O-C-N 121.281 -0.887 . . . . 0.0 112.691 -173.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -94.47 150.86 19.85 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 117.13 0.465 . . . . 0.0 110.243 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -136.55 130.47 32.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.24 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.4 pt -126.73 135.35 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -82.73 140.44 33.06 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.8 tp -141.63 132.22 25.48 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.739 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -104.77 118.56 36.86 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.518 0.511 . . . . 0.0 110.053 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.5 m -140.83 162.56 22.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.234 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.19 152.45 38.63 Favored Pre-proline 0 CA--C 1.545 0.754 0 O-C-N 123.258 0.349 . . . . 0.0 110.505 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.83 -33.25 80.71 Favored 'Trans proline' 0 N--CA 1.501 1.944 0 C-N-CA 122.291 1.994 . . . . 0.0 112.529 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.1 p -76.34 -15.92 59.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.92 142.05 58.02 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.608 0.242 . . . . 0.0 110.544 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.0 p -80.36 156.8 26.54 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.978 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -63.73 -42.06 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.507 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -55.97 -39.63 72.07 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.23 0.331 . . . . 0.0 110.119 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -62.63 -40.3 96.56 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.108 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.12 -43.51 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.6 -38.14 80.45 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.28 86.39 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.422 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -62.64 -40.35 96.72 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -63.46 -41.44 92.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -54.98 -37.59 66.73 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.39 -35.62 79.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.602 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -77.98 -44.45 26.66 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -92.49 -39.8 11.19 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 128.257 2.623 . . . . 0.0 115.884 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 30.65 38.0 Favored Glycine 0 C--N 1.353 1.472 0 C-N-CA 126.4 1.952 . . . . 0.0 111.966 -169.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.8 mt -104.2 138.28 19.48 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.63 131.26 43.21 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.045 1.83 . . . . 0.0 111.987 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.58 -28.81 82.78 Favored 'Trans proline' 0 N--CA 1.504 2.093 0 C-N-CA 122.287 1.992 . . . . 0.0 112.72 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.12 -38.58 91.12 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -85.07 8.44 17.97 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 122.315 -0.241 . . . . 0.0 111.303 -172.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -114.66 134.95 54.67 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 120.589 0.233 . . . . 0.0 111.526 -178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 14.8 mtp85 -115.6 136.91 52.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.819 178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.24 134.37 52.88 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -126.2 133.45 68.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 -178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -125.95 129.01 48.41 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.63 28.89 18.41 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.18 14.9 81.46 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -115.31 135.18 54.41 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.06 149.31 41.42 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.318 0.386 . . . . 0.0 110.341 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.6 mt -112.41 153.83 26.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.163 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -106.41 131.07 54.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.94 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -63.11 -34.85 78.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.845 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.04 -20.92 75.21 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 113.164 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -90.61 158.98 16.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.16 0.48 . . . . 0.0 111.092 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.5 p -94.34 166.71 11.95 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.708 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.87 -41.57 98.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.407 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.2 p -61.24 -28.52 69.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.415 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.09 -35.05 74.35 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.092 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -92.54 12.8 21.78 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.796 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 56.78 36.6 27.92 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.928 0.395 . . . . 0.0 110.995 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.7 mt -75.02 127.65 36.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -103.52 -176.46 3.09 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.73 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.06 147.35 53.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.106 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 56.82 78.15 0.23 Allowed 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.196 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -124.58 154.72 40.23 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.435 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.5 m -111.23 124.47 52.28 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.345 0.403 . . . . 0.0 110.708 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 93.6 mt -116.7 126.22 52.86 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.039 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -87.67 148.41 24.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.965 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 25.6 tp -110.99 128.84 55.98 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.177 0.513 . . . . 0.0 111.928 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.1 t -128.56 161.39 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 115.155 -0.929 . . . . 0.0 108.576 178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 14.5 tp -105.88 121.42 44.03 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.663 -178.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -86.35 134.67 33.71 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 73.5 mt -111.46 65.15 0.62 Allowed 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.055 0.455 . . . . 0.0 111.115 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -140.41 149.15 42.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.706 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.73 134.69 11.79 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.876 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.87 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -60.34 -40.71 91.67 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.57 0.224 . . . . 0.0 110.707 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 77.0 mtm -84.91 151.46 24.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.92 -62.18 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.843 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.092 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.51 -16.79 34.42 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 122.229 1.953 . . . . 0.0 112.861 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 50.5 t -61.79 -43.71 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 26.6 mt -60.84 -42.44 97.77 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.33 0.394 . . . . 0.0 110.774 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -66.39 -39.39 89.02 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.234 0.334 . . . . 0.0 110.791 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.0 -39.29 79.42 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.6 mtm -64.09 -39.62 94.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.816 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.96 -43.91 97.5 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.348 0.405 . . . . 0.0 110.63 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.54 -43.4 94.09 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.38 0.425 . . . . 0.0 111.026 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.5 -41.14 96.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.278 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.66 -41.8 99.26 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.316 0.385 . . . . 0.0 111.2 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.93 -42.27 94.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.973 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -70.68 -38.32 73.71 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.073 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -64.59 -46.01 84.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.45 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.36 -33.9 71.98 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.481 0.488 . . . . 0.0 111.266 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -60.25 -46.42 89.85 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.41 -40.53 95.95 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -63.5 -37.77 88.59 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.408 0.443 . . . . 0.0 110.954 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -63.04 -46.55 87.02 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.86 -41.21 91.94 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -60.54 -38.32 84.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.048 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.69 -37.97 86.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.558 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -62.01 -43.66 98.38 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.6 -43.05 95.02 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -60.77 -40.73 93.63 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.145 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -67.71 -44.93 76.51 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.654 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 65.7 mtm -64.89 -43.97 91.13 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.381 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -64.56 -39.73 94.28 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.516 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -64.98 -34.46 78.49 Favored 'General case' 0 CA--C 1.528 0.114 0 O-C-N 123.415 0.447 . . . . 0.0 110.259 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.62 -39.38 94.23 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.277 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -51.59 -33.18 31.58 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.536 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 70.3 mtp180 -63.18 -37.96 89.27 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.708 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 60.76 41.89 14.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.114 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 31.9 m -123.56 130.08 52.15 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.106 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.04 136.55 25.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.835 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 24.9 p -134.66 157.28 47.04 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -136.59 98.41 3.8 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.323 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 57.76 107.84 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.626 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.38 -41.08 96.52 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -74.45 172.65 52.14 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 88.3 p -138.4 147.49 43.43 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 11.2 p -64.16 -41.7 93.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.985 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -97.77 109.89 22.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.857 -179.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.05 -41.56 95.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.352 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -132.87 152.21 51.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.109 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 18.2 tp -90.74 120.8 32.08 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.653 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 6.2 mp -121.21 163.07 19.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.414 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -62.72 -38.6 91.13 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.543 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 33.3 t -63.11 145.86 54.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 70.9 m -130.23 152.2 49.91 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.748 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -93.3 4.27 54.26 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.24 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 97.2 mtp 50.26 92.92 0.02 OUTLIER 'General case' 0 C--N 1.345 0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.774 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.59 91.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -135.41 140.2 11.45 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.68 97.5 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.568 0.223 . . . . 0.0 110.694 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 82.1 tttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.442 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 tttt -76.14 114.86 15.27 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -71.45 -19.0 62.28 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t 70.14 83.04 0.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.028 0.442 . . . . 0.0 110.891 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -109.17 6.8 25.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.436 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.2 m -60.89 -42.7 98.5 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.043 0.449 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.31 -42.48 90.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.723 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -63.23 -43.97 96.58 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.133 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p -64.02 -36.36 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.9 -43.32 77.16 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.54 -42.03 98.22 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.989 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.5 t -62.76 -41.93 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 48.9 tp -59.77 -37.76 79.92 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.979 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.24 -38.73 92.09 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.615 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.18 -35.82 58.97 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.172 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.7 p -78.7 -28.4 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.683 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.7 92.08 0.2 Allowed Pre-proline 0 CA--C 1.553 1.074 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.505 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.78 -34.98 98.96 Favored 'Trans proline' 0 N--CA 1.505 2.192 0 C-N-CA 122.64 2.226 . . . . 0.0 113.108 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -59.72 -45.94 90.63 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.5 p -80.04 132.7 36.04 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.141 0.275 . . . . 0.0 110.603 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.09 177.43 18.16 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 tt -134.03 142.02 42.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.802 0.334 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 p -78.95 162.21 26.14 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.445 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -62.22 -40.22 95.41 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 123.71 0.804 . . . . 0.0 109.632 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -65.67 -41.96 91.87 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.679 1.191 . . . . 0.0 110.557 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.0 82.39 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.3 mtp -62.83 -41.56 99.38 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.16 -38.43 95.59 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.79 -41.51 92.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 93.6 mmm -61.17 -36.27 79.37 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.212 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.2 -43.22 96.12 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -69.03 -33.22 73.27 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.163 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -62.26 -45.96 90.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.075 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.3 -45.62 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.431 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -63.24 -42.37 99.21 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.887 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -60.11 -47.85 84.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.337 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.08 -36.3 74.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 O-C-N 123.566 0.541 . . . . 0.0 109.854 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.51 -47.03 76.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.472 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -67.72 -40.69 84.21 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.414 0.446 . . . . 0.0 111.623 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.17 -48.4 78.58 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.349 0.406 . . . . 0.0 111.691 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.68 -42.74 93.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.41 82.41 Favored 'General case' 0 C--O 1.232 0.15 0 O-C-N 123.403 0.439 . . . . 0.0 111.4 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.19 -45.4 91.56 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.724 -0.551 . . . . 0.0 111.724 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.18 -41.7 96.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.451 0.167 . . . . 0.0 110.752 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.9 97.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -62.65 -41.09 98.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.439 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.57 -41.1 93.95 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.442 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.02 -39.89 93.83 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.636 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.95 93.05 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -65.92 -43.39 88.27 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -63.08 -40.74 98.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.401 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -91.08 2.98 55.91 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.155 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 52.9 33.67 14.99 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.813 0.339 . . . . 0.0 111.308 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.75 111.94 22.58 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.453 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 m -62.37 -36.49 82.43 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.347 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.5 m -108.99 127.94 54.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.6 mt -83.67 135.89 23.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.5 p -129.7 -178.92 4.9 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.16 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -56.02 -32.7 64.24 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.803 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.74 -44.22 97.34 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.41 -46.83 81.59 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.25 0.344 . . . . 0.0 110.678 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 91.7 mt -63.88 -41.92 94.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.937 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -55.55 -43.34 75.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.739 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.5 m -62.25 -45.52 92.96 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.313 0.383 . . . . 0.0 110.129 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.18 90.12 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.452 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.4 t -62.14 -45.15 99.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.487 -179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.6 -37.96 89.38 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.17 0.294 . . . . 0.0 111.644 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.91 -32.2 69.06 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -89.68 -36.05 15.45 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp -91.54 139.18 25.05 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -53.06 -177.53 0.03 OUTLIER 'Trans proline' 0 N--CA 1.502 1.989 0 C-N-CA 122.376 2.05 . . . . 0.0 111.71 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.26 -49.59 60.74 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-N 116.479 -0.328 . . . . 0.0 113.052 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.03 -42.72 84.38 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.87 -39.21 93.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.268 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.13 -39.74 95.57 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.441 0.463 . . . . 0.0 111.656 -179.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.96 -47.68 84.82 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.128 0.267 . . . . 0.0 110.937 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -70.19 -35.66 74.09 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.333 0.395 . . . . 0.0 111.347 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.48 83.98 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.35 -42.38 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.199 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -61.65 -43.9 97.98 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 123.069 0.547 . . . . 0.0 109.683 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -67.31 -45.02 77.71 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.686 1.194 . . . . 0.0 111.695 -178.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.26 -47.77 50.14 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 121.425 -0.417 . . . . 0.0 112.19 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -64.58 -46.07 84.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.558 0.218 . . . . 0.0 111.036 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -62.96 -35.81 81.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.757 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.99 94.74 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.272 0.357 . . . . 0.0 110.107 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.62 -46.04 95.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 m -63.78 -42.66 97.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.536 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -61.92 -37.51 84.94 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.083 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -60.31 -48.11 83.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.0 m -67.41 -40.21 85.57 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.137 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.9 m -75.63 -14.5 60.37 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.55 1.54 . . . . 0.0 111.415 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -57.94 -45.09 87.16 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.291 0.636 . . . . 0.0 110.898 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 61.87 -77.33 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.613 0.571 . . . . 0.0 110.526 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.5 p -65.75 -179.73 0.73 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.53 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 66.9 133.05 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.909 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -97.96 -18.37 18.67 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.348 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 m -76.5 139.0 40.61 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.485 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -64.51 -43.4 94.2 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.324 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 m -65.18 -42.01 94.04 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 76.8 p -61.98 -42.18 98.85 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.249 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -68.06 -35.83 78.86 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.076 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.7 -36.55 76.04 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.03 22.63 57.16 Favored Glycine 0 CA--C 1.534 1.248 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.4 mp -108.17 135.11 50.06 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.62 -44.01 93.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.261 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -63.06 130.14 93.92 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.361 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -57.67 108.3 0.37 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.219 1.946 . . . . 0.0 111.822 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 92.2 t -63.57 -43.27 98.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.32 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.05 -38.53 95.69 Favored Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.676 -0.569 . . . . 0.0 111.676 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -66.35 -38.6 87.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.326 0.108 . . . . 0.0 111.222 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 87.4 t -59.49 -43.66 91.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -57.67 -43.21 84.88 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.373 0.42 . . . . 0.0 110.326 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -67.3 -39.45 85.94 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.014 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.21 -43.21 99.24 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.576 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.65 -44.64 95.77 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.254 0.346 . . . . 0.0 110.821 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -66.35 -30.27 70.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.939 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.5 -36.89 81.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.328 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.42 5.85 26.36 Favored Glycine 0 CA--C 1.541 1.669 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 11.0 p30 42.93 30.06 0.22 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 117.227 0.513 . . . . 0.0 111.85 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.92 -43.67 98.37 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.504 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.7 p -136.52 160.88 37.44 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.71 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.18 -37.89 86.72 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -137.67 147.04 44.55 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.536 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.3 t -126.4 136.7 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -79.01 173.29 55.37 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -89.33 -34.73 16.44 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.932 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.98 -36.23 92.83 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -58.6 -59.55 13.23 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.542 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -53.78 -38.48 85.26 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.792 1.661 . . . . 0.0 111.414 178.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 85.3 t -62.74 -45.46 98.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -61.21 -46.09 91.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.137 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 32.2 tp -62.25 -42.25 99.16 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.481 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.32 83.87 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.23 -41.42 94.4 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.846 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 92.0 t -65.11 -45.93 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.162 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.64 -40.17 96.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -64.11 -41.22 97.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.553 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -62.06 -45.07 95.15 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 68.4 mt -61.22 -40.71 95.0 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.764 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.3 m -63.09 -45.91 89.86 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.389 0.431 . . . . 0.0 110.849 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.48 84.87 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.816 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.5 -41.97 98.52 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.527 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 92.0 mt -63.22 -43.58 98.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.87 -39.21 91.11 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.458 0.473 . . . . 0.0 111.048 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -61.46 -48.05 82.9 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.125 0.265 . . . . 0.0 110.601 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 34.9 mt -65.22 -41.69 94.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.398 179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.93 -37.58 82.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.375 179.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.8 -43.22 99.52 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -61.85 -44.27 97.17 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.89 88.47 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.39 0.432 . . . . 0.0 109.95 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -58.25 -46.83 85.24 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.269 179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -62.98 -38.39 90.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.226 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.13 -30.53 71.59 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -92.44 12.58 22.3 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.699 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.45 35.81 26.32 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.975 0.417 . . . . 0.0 111.198 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -137.77 117.0 12.64 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.57 179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 4.5 m -66.53 -45.2 80.24 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.91 154.26 26.75 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.322 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 66.4 mt -109.93 131.14 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 19.0 pt -127.78 165.72 28.25 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.283 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.97 -36.74 54.63 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.288 1.992 . . . . 0.0 112.234 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -61.53 -40.0 93.09 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.424 0.453 . . . . 0.0 109.87 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -67.25 -43.75 81.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.49 -43.6 98.42 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.013 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -66.96 -38.99 87.11 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.246 0.341 . . . . 0.0 110.679 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.7 tt -61.85 -45.16 95.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -67.99 -41.82 81.71 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.272 0.358 . . . . 0.0 111.693 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.74 -44.17 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.406 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -65.85 -34.27 77.76 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.373 0.421 . . . . 0.0 111.516 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -77.16 -16.48 59.11 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.24 0.337 . . . . 0.0 111.814 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -102.67 113.79 27.48 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -62.97 -40.44 97.71 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.465 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -60.82 -48.09 83.38 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 123.386 0.429 . . . . 0.0 111.312 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.86 -35.37 80.42 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.905 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -59.24 -38.2 79.44 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.18 -45.6 92.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.261 0.351 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.8 -40.51 83.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 86.4 mt -98.07 21.44 10.76 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.267 -178.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.2 -37.82 74.44 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -103.44 28.49 6.4 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.463 0.173 . . . . 0.0 111.461 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.34 130.6 72.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.2 t -122.88 130.78 53.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.655 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 69.1 mt -109.54 -28.77 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.192 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -56.87 178.58 0.06 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 57.49 90.32 0.04 OUTLIER 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.246 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 117.957 -1.469 . . . . 0.0 110.91 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptt? . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -104.21 128.65 51.96 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.886 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.2 pt -135.52 147.06 28.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 O-C-N 123.686 0.616 . . . . 0.0 109.942 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -108.51 141.91 39.69 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -122.85 128.64 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -115.66 153.72 30.8 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.2 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -124.24 161.48 25.69 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.384 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.71 -20.11 60.36 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.796 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 47.7 p -69.67 -22.6 63.43 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 119.087 -2.258 . . . . 0.0 111.567 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.12 11.1 34.98 Favored Glycine 0 C--N 1.357 1.75 0 O-C-N 120.971 -1.08 . . . . 0.0 112.545 -173.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -92.24 151.84 20.14 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 117.215 0.507 . . . . 0.0 110.071 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -135.08 129.65 34.31 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.316 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.9 pt -124.98 137.11 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.198 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.9 t -88.72 119.91 29.64 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.42 0.688 . . . . 0.0 110.618 -177.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.02 132.53 49.11 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 121.684 -0.635 . . . . 0.0 111.031 -174.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -110.82 114.96 28.7 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.905 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -138.11 159.67 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.316 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -91.76 151.26 42.08 Favored Pre-proline 0 CA--C 1.541 0.625 0 O-C-N 123.29 0.368 . . . . 0.0 110.666 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.1 -39.74 89.28 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 122.234 1.956 . . . . 0.0 112.53 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -64.77 -20.76 66.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -63.13 142.36 58.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.583 0.23 . . . . 0.0 110.627 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.6 p -81.2 161.15 24.12 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.06 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.49 -42.07 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.601 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -55.44 -39.79 70.74 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.255 0.347 . . . . 0.0 110.133 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -63.16 -39.29 94.22 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.043 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.72 -42.8 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.22 -38.24 79.47 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.4 93.09 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.435 0.459 . . . . 0.0 110.202 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -64.6 -40.29 95.24 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.56 -41.68 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -55.74 -37.7 68.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -66.39 -36.9 84.02 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.251 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -88.36 -31.91 18.66 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -95.22 -43.08 8.23 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 126.493 1.917 . . . . 0.0 114.831 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.18 23.25 49.25 Favored Glycine 0 C--N 1.356 1.666 0 C-N-CA 124.68 1.133 . . . . 0.0 112.072 -170.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -101.71 137.92 19.7 Favored Pre-proline 0 CA--C 1.547 0.863 0 CA-C-O 119.19 -0.433 . . . . 0.0 109.984 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -59.74 131.45 40.0 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 121.987 1.791 . . . . 0.0 111.941 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -61.66 -25.6 79.22 Favored 'Trans proline' 0 N--CA 1.502 2.029 0 C-N-CA 122.356 2.037 . . . . 0.0 112.737 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.89 -36.27 83.37 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 117.992 -1.483 . . . . 0.0 108.804 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -91.15 10.69 25.95 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.636 -174.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -97.95 131.99 43.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.74 0.305 . . . . 0.0 111.331 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 32.3 mtp85 -119.0 124.39 46.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.563 178.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 mt -105.4 134.58 48.29 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.6 mt -129.07 133.9 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 O-C-N 123.437 0.46 . . . . 0.0 110.923 -178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -123.68 132.61 53.88 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.87 16.79 3.83 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.01 17.08 61.88 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-O 119.931 -0.372 . . . . 0.0 112.676 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -115.78 138.85 50.73 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 117.297 0.548 . . . . 0.0 109.68 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.45 151.83 19.24 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.114 0.259 . . . . 0.0 110.481 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 91.5 mt -118.76 129.14 55.09 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.014 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -77.51 134.37 38.33 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.829 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.84 -37.54 87.98 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.807 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.26 12.79 24.12 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.322 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -112.11 157.31 20.96 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 117.413 0.607 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 78.9 p -94.75 161.54 14.13 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.51 -42.43 99.51 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.239 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 96.3 p -60.05 -30.5 69.24 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.429 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.52 -26.29 68.48 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.186 0.304 . . . . 0.0 111.161 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -92.71 10.49 30.47 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.676 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 m120 55.52 36.79 27.87 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.002 0.43 . . . . 0.0 110.879 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.5 mt -84.13 129.4 37.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -96.88 -175.38 3.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.503 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.01 149.33 47.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.809 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 53.06 87.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.922 0.392 . . . . 0.0 110.331 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -129.91 153.4 48.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.319 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 23.6 m -108.01 120.28 41.84 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.375 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 43.3 mt -119.33 127.33 53.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.864 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -89.72 150.58 22.25 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.624 0.578 . . . . 0.0 110.248 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 28.5 tp -114.94 134.05 55.49 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 112.008 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.3 t -128.02 163.44 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 12.5 tp -112.35 118.04 34.12 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -80.2 137.52 36.69 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 78.5 mt -104.69 168.31 9.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 62.33 136.48 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.372 0.42 . . . . 0.0 110.431 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.15 165.66 40.12 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -60.99 -45.2 95.8 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 60.4 ttp -120.19 147.65 44.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.442 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.64 -59.76 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.166 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.1 -25.92 58.12 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 122.23 1.954 . . . . 0.0 112.848 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.2 t -65.1 -42.25 93.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 32.4 mt -60.82 -43.34 98.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.991 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -64.57 -40.87 96.33 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 123.186 0.304 . . . . 0.0 110.506 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.8 -39.63 84.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.9 mtm -64.98 -39.03 92.86 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.732 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.12 -43.87 98.21 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.276 0.36 . . . . 0.0 110.636 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.46 -43.05 91.53 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.395 0.435 . . . . 0.0 110.96 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.57 -41.14 96.48 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.458 0.473 . . . . 0.0 111.104 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.97 -41.52 98.09 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.408 0.442 . . . . 0.0 111.11 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -62.26 -43.02 99.78 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.304 0.377 . . . . 0.0 110.824 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -71.28 -37.9 71.85 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.019 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -62.88 -46.21 88.91 Favored 'General case' 0 CA--C 1.522 -0.123 0 O-C-N 123.376 0.422 . . . . 0.0 110.019 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -64.62 -32.29 73.88 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.591 0.557 . . . . 0.0 110.743 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.59 -47.72 84.97 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -38.17 75.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.8 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -64.8 -40.38 95.13 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.425 0.453 . . . . 0.0 111.439 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.37 -47.29 73.87 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.257 0.348 . . . . 0.0 110.581 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -66.3 -41.72 89.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.953 0.406 . . . . 0.0 109.917 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -63.43 -39.76 95.36 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.494 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.83 -38.48 91.11 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.509 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.58 -41.52 97.52 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.667 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 79.0 mt -62.79 -42.12 99.56 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.234 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -61.13 -41.18 96.26 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.019 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -70.11 -42.44 72.65 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.41 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 44.3 mtm -63.17 -45.27 92.62 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.246 0.341 . . . . 0.0 111.206 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -65.26 -40.55 94.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.637 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.39 -31.88 71.54 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.555 0.534 . . . . 0.0 110.682 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.14 -38.89 88.0 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.543 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -60.37 -37.79 81.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.203 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -64.76 -37.58 88.07 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.095 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -33.12 132.59 0.16 Allowed 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.863 0.727 . . . . 0.0 111.616 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 68.6 p -132.02 173.95 10.68 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.586 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.57 -41.09 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.664 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 5.2 t -53.09 -25.64 13.63 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.085 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 60.23 158.95 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.448 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -108.88 159.46 16.78 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.555 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -126.42 151.03 48.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.507 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -60.96 148.2 46.06 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 30.6 p -155.39 168.19 27.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.501 0.191 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.41 126.59 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.825 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -83.75 -20.37 33.48 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.435 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -56.22 150.07 15.01 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -62.96 158.92 18.05 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.207 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 67.5 mt -79.03 133.5 36.81 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.3 128.03 51.92 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.565 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -64.91 -36.15 83.44 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.347 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 91.9 p -56.97 -32.96 66.6 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.817 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 73.8 p -100.73 69.05 1.35 Allowed 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.06 0.457 . . . . 0.0 110.685 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -62.59 -42.38 99.53 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.462 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 71.1 mtm -66.67 -38.8 87.58 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 55.6 92.92 0.03 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.474 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 80.81 156.9 14.93 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -154.77 152.9 30.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.558 0.218 . . . . 0.0 110.571 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.453 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -140.73 156.14 46.28 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.724 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -56.79 141.0 45.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.375 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 m -107.26 115.66 30.56 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.394 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -110.07 25.01 12.26 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.533 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -57.76 -40.83 80.69 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.706 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.19 -43.07 92.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -63.85 -44.73 92.25 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.086 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.26 -37.68 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -56.62 -40.91 76.19 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 123.37 0.418 . . . . 0.0 109.962 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.86 -41.76 96.52 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.425 0.453 . . . . 0.0 109.996 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.74 -43.09 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.8 tp -59.76 -45.15 93.13 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -69.61 -32.76 71.67 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.41 0.444 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -68.52 -35.25 77.2 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.63 -41.87 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 123.357 0.411 . . . . 0.0 111.925 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -157.12 90.79 2.45 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 123.166 0.291 . . . . 0.0 110.566 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.7 -35.23 92.81 Favored 'Trans proline' 0 N--CA 1.504 2.092 0 C-N-CA 122.504 2.136 . . . . 0.0 112.928 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.2 -44.22 97.63 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.459 0.474 . . . . 0.0 111.799 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.5 p -76.22 134.79 39.76 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.43 0.456 . . . . 0.0 110.905 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.45 173.44 17.05 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.25 146.66 30.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.8 0.333 . . . . 0.0 110.407 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.7 t -80.4 146.98 31.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.136 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.6 p -59.62 -30.49 68.74 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 123.316 0.646 . . . . 0.0 110.246 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -68.06 -39.61 82.94 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 122.996 0.518 . . . . 0.0 110.345 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.08 93.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mtp -61.92 -43.64 98.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.15 -42.37 99.72 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.75 -43.25 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.7 mmm -65.23 -38.11 89.36 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.475 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.47 -42.32 99.4 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.336 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.7 p -65.45 -36.52 84.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.169 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -61.72 -42.79 99.43 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.08 -43.41 96.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.15 -43.08 96.03 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.358 0.411 . . . . 0.0 110.808 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.08 -43.59 91.68 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.321 0.388 . . . . 0.0 110.929 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.5 mm -64.8 -41.58 92.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 89.7 t80 -55.31 -45.59 76.29 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.446 -178.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.39 -40.0 92.9 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.394 0.434 . . . . 0.0 111.687 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -64.07 -44.49 92.22 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.23 0.331 . . . . 0.0 111.763 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 18.9 mm -64.61 -46.27 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.314 0.384 . . . . 0.0 110.373 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.64 95.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.441 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.38 93.92 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -66.37 -42.11 88.46 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.57 91.51 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.364 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.2 t -61.06 -43.92 98.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.995 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -63.54 -40.55 97.31 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.382 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.69 -39.76 95.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.652 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.51 85.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.374 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -62.32 -43.11 99.59 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.024 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -63.61 -39.51 94.54 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.405 0.441 . . . . 0.0 110.264 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -85.33 -1.53 57.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.077 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 53.74 33.51 16.98 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.865 0.364 . . . . 0.0 111.289 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -98.9 136.02 39.5 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.624 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m -87.57 -11.95 47.17 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.65 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.4 m -119.46 127.66 53.28 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.634 0.255 . . . . 0.0 110.63 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.407 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 91.0 mt -82.23 136.95 21.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 p -127.43 171.73 11.29 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.697 0.623 . . . . 0.0 111.226 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.6 p -57.54 -33.44 68.11 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.772 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -60.41 -42.9 96.96 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.23 0.331 . . . . 0.0 110.762 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.407 ' OE2' ' HA ' ' A' ' 65' ' ' ILE . 93.8 mt-10 -64.96 -44.55 89.02 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.235 0.334 . . . . 0.0 110.328 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.6 mt -64.51 -42.27 94.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.932 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -55.28 -44.81 75.99 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.178 0.299 . . . . 0.0 110.881 -178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.7 m -63.45 -41.97 98.64 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.283 0.365 . . . . 0.0 110.425 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.92 98.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.829 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 75.6 t -62.08 -43.86 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 123.283 0.365 . . . . 0.0 110.206 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.26 -38.23 90.33 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.307 0.379 . . . . 0.0 111.488 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.4 mt -74.08 -32.4 63.24 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.4 mt -85.39 -36.92 20.39 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.7 mp -97.68 150.03 36.35 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -58.43 165.73 7.15 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 C-N-CA 122.385 2.057 . . . . 0.0 111.544 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.33 -47.16 76.95 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.455 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.69 -46.95 87.51 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.781 0.291 . . . . 0.0 111.512 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.04 -39.12 92.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.14 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.9 -40.96 97.71 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.981 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -60.22 -45.58 92.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.311 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -69.55 -39.17 77.58 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.346 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.16 84.38 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.23 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.7 t -61.74 -42.68 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.385 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.2 m -62.89 -37.09 85.54 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.94 -45.65 70.22 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 122.825 0.45 . . . . 0.0 111.508 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.52 -42.11 89.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.5 m -60.91 -48.32 82.36 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.04 -36.86 82.99 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 123.479 0.487 . . . . 0.0 110.819 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.82 92.66 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -66.48 -43.03 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -59.77 -42.01 92.36 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.852 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -61.34 -42.7 99.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.36 -45.85 92.03 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.5 p -68.75 -33.86 74.62 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.049 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.5 p -73.92 -36.82 64.75 Favored 'General case' 0 N--CA 1.437 -1.09 0 O-C-N 118.504 -2.623 . . . . 0.0 110.1 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.2 m -99.45 111.24 23.63 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 118.668 -1.213 . . . . 0.0 110.711 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.12 161.67 17.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.553 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p 57.97 21.39 7.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.187 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.49 165.43 2.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -66.68 -45.23 79.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.873 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.4 p -134.13 166.17 23.38 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.778 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -66.61 -43.73 84.03 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 m -61.19 -34.37 74.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.651 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.0 t -61.15 -38.5 86.66 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.326 0.391 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.88 -35.33 78.0 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.692 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.56 -26.59 21.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.314 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.62 30.47 72.92 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.0 mt -106.56 132.26 52.78 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -41.41 71.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.528 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -62.16 145.05 94.03 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.429 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -70.47 105.63 1.64 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.002 1.801 . . . . 0.0 111.992 -179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.07 -44.23 97.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.17 -39.07 96.64 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -63.77 -41.14 98.02 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.624 -0.139 . . . . 0.0 110.624 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.9 t -59.43 -44.52 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -59.59 -44.03 93.48 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.441 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -65.94 -38.98 90.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.14 -41.64 98.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.505 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.86 -43.2 98.69 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.25 0.344 . . . . 0.0 110.784 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.5 ttp85 -64.32 -40.77 96.57 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.456 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.87 -40.69 98.28 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.41 -8.99 41.06 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 30.3 m120 57.42 31.82 20.81 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.769 0.284 . . . . 0.0 111.399 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -64.11 -43.1 96.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.307 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 42.1 t -146.46 163.02 37.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.59 -38.02 83.41 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.003 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -131.61 150.21 52.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.74 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.4 t -130.83 138.12 54.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -86.57 177.92 48.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.76 -33.46 15.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.85 0.357 . . . . 0.0 110.956 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.33 -19.28 74.15 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.848 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.26 -58.72 1.44 Allowed Pre-proline 0 CA--C 1.54 0.568 0 CA-C-O 118.877 -0.582 . . . . 0.0 109.969 -179.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -55.09 -38.25 93.58 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.69 1.593 . . . . 0.0 111.145 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 95.8 t -64.67 -45.56 94.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -62.3 -46.07 90.39 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.011 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 34.5 tp -63.05 -39.77 95.73 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.504 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.51 87.09 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.479 0.487 . . . . 0.0 110.646 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.65 82.93 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.422 0.451 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.1 t -63.38 -46.76 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.333 -179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.51 -41.56 98.51 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.403 0.439 . . . . 0.0 110.668 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -64.76 -37.48 87.74 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.362 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -60.22 -47.05 87.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.258 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.87 -42.56 99.8 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.241 0.338 . . . . 0.0 110.823 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.9 m -63.13 -43.14 99.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.78 99.16 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.538 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -66.31 -42.29 88.47 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.281 0.363 . . . . 0.0 111.572 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.28 -43.13 97.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.75 -40.97 98.91 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.396 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -68.21 -44.96 74.6 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.111 0.257 . . . . 0.0 110.69 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 74.2 mt -62.49 -40.5 96.88 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.038 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.69 83.33 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.175 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -60.17 -42.45 98.61 Favored Glycine 0 C--N 1.337 0.633 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -63.41 -41.84 98.73 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.67 98.52 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.48 -35.18 79.63 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.833 178.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -58.38 -44.24 88.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.09 -34.76 78.77 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.295 0.372 . . . . 0.0 110.486 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -89.63 17.89 6.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.503 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 60.2 pttt 41.14 41.16 1.28 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 121.025 0.44 . . . . 0.0 111.638 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -110.64 143.68 40.7 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.213 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 75.8 p -104.57 8.82 35.48 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.477 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -130.11 125.72 35.81 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 79.2 mt -78.27 129.58 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 17.0 pt -127.92 165.0 33.26 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.013 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.1 -35.29 50.86 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.15 1.9 . . . . 0.0 112.3 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -61.96 -40.11 94.42 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -66.73 -41.17 88.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.451 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.99 -42.82 99.95 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.584 0.552 . . . . 0.0 110.947 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -65.3 -42.17 93.33 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.18 -41.97 96.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.256 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -62.98 -40.33 97.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.33 -43.9 97.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.278 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -69.81 -21.64 63.37 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.384 0.427 . . . . 0.0 111.801 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.21 -16.32 59.11 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -114.16 119.73 38.09 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -64.25 -36.48 84.21 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.416 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -65.24 -46.41 80.7 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.39 0.432 . . . . 0.0 111.268 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.66 -35.26 80.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.719 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -60.17 -40.81 91.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.262 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.75 -44.61 92.97 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.471 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 39.1 tp -65.77 -40.92 92.48 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 66.4 mt -96.65 17.4 16.5 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.116 -178.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -60.09 -35.68 88.24 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -98.94 11.1 39.92 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 85.8 t -123.99 128.75 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.4 m -119.07 123.36 44.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.436 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 44.0 mm -63.18 -44.82 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.091 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -141.29 143.59 34.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.715 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -138.58 -48.6 0.52 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.098 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.735 0 CA-C-O 117.984 -1.453 . . . . 0.0 110.954 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttp . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -115.05 131.35 56.95 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.9 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 pt -129.44 154.02 39.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.01 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -107.93 143.36 36.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.668 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.56 127.7 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -114.78 150.07 35.99 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.224 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 63.0 p -119.84 166.5 13.2 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.503 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.83 -20.17 63.36 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.4 p -70.26 -25.38 63.33 Favored 'General case' 0 N--CA 1.441 -0.913 0 O-C-N 119.612 -1.93 . . . . 0.0 111.397 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.89 11.68 31.84 Favored Glycine 0 C--N 1.358 1.775 0 O-C-N 121.001 -1.062 . . . . 0.0 112.541 -174.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -91.99 153.35 19.51 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 36.3 m -130.28 130.11 44.12 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.3 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.7 pt -123.8 136.02 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.205 179.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -91.33 129.22 37.35 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.76 -177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 tp -127.37 134.36 49.95 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.701 -175.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -105.66 114.37 28.5 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.259 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.11 166.14 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.144 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -109.76 159.23 32.45 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.494 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -54.89 -29.76 65.19 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.284 1.99 . . . . 0.0 112.539 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.5 m -80.23 -15.02 57.92 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -62.66 142.97 57.83 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.558 0.218 . . . . 0.0 110.595 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 8.3 p -83.09 156.27 23.41 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.954 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 33.2 mm -64.42 -42.63 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.731 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -56.36 -39.69 73.3 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.238 0.336 . . . . 0.0 110.118 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -61.47 -39.28 90.32 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.095 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.41 -43.11 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.61 -38.35 89.86 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.996 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.36 96.48 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.382 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -63.28 -39.91 95.89 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.93 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.79 -41.35 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -54.74 -39.0 67.83 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.67 -35.79 81.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.901 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -78.85 -45.55 20.51 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.728 ' HG2' HD12 ' B' ' 36' ' ' ILE . 23.2 tp10 -95.46 -36.93 11.14 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.04 31.41 9.2 Favored Glycine 0 C--N 1.356 1.691 0 C-N-CA 124.43 1.014 . . . . 0.0 111.948 -170.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.728 HD12 ' HG2' ' B' ' 34' ' ' GLU . 59.7 mt -99.36 115.99 65.32 Favored Pre-proline 0 CA--C 1.552 1.023 0 CA-C-O 118.96 -0.543 . . . . 0.0 110.108 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -49.88 135.97 35.87 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.352 2.035 . . . . 0.0 111.843 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.18 -35.51 63.27 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.302 2.001 . . . . 0.0 112.891 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.547 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 68.6 m-20 -60.78 -36.61 79.41 Favored 'General case' 0 N--CA 1.427 -1.623 0 C-N-CA 119.055 -1.058 . . . . 0.0 108.389 -178.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -92.6 11.84 25.19 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 122.696 0.399 . . . . 0.0 112.075 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -108.03 125.17 51.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -117.04 134.34 54.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.1 mt -114.09 136.76 52.57 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 97.6 mt -129.94 139.01 52.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 123.469 0.481 . . . . 0.0 110.439 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -124.14 126.24 45.83 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.21 26.95 8.99 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 13.76 76.99 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-N 116.561 -0.291 . . . . 0.0 112.423 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -109.94 135.09 51.35 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -64.86 143.18 58.12 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.398 0.436 . . . . 0.0 110.415 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 63.1 mt -110.94 134.9 52.2 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.543 0.527 . . . . 0.0 110.935 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -84.59 134.76 34.38 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.344 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -65.82 -35.33 80.38 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.788 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.72 15.79 45.01 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 113.061 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -121.22 156.16 33.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.294 0.547 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' OD1' ' B' ' 58' ' ' ASP . 70.3 p -86.5 164.76 16.75 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.37 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.09 -37.91 89.03 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.321 0.388 . . . . 0.0 111.041 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.3 t -59.22 -27.65 65.94 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.376 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 55' ' ' THR . 1.8 p-10 -56.37 -31.0 63.39 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 111.458 0.169 . . . . 0.0 111.458 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -100.67 12.67 36.95 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 57.99 43.36 21.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.008 0.432 . . . . 0.0 111.169 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -79.72 127.4 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -104.81 -177.9 3.5 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.818 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.31 148.37 45.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.101 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 56.4 82.35 0.11 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.336 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.0 p -131.28 156.37 45.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.347 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 27.9 m -112.67 126.22 55.14 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.453 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 69.2 mt -117.33 125.34 50.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.276 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -86.43 149.6 24.88 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.051 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 tp -111.51 131.16 55.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.081 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.6 t -129.03 164.2 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.74 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.1 tp -103.63 115.07 29.82 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.547 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 40.6 ttm180 -79.73 136.36 36.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 74.3 mt -121.37 35.6 4.84 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.876 0.369 . . . . 0.0 111.646 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -125.98 145.86 50.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.765 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.33 -168.02 51.3 Favored Glycine 0 N--CA 1.465 0.612 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.709 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -131.36 151.38 51.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 110.751 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 93.5 mtp -64.4 -33.55 76.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.02 56.73 1.07 Allowed Pre-proline 0 CA--C 1.556 1.211 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.244 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.54 -8.44 22.55 Favored 'Trans proline' 0 N--CA 1.503 2.041 0 C-N-CA 122.035 1.823 . . . . 0.0 112.696 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.49 -41.59 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 69.8 mt -60.18 -44.26 95.2 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.145 0.278 . . . . 0.0 110.878 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.54 -41.6 88.47 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.923 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.83 -39.37 87.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.223 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 67.6 mtm -63.48 -36.64 84.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.53 -44.56 90.46 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.202 0.313 . . . . 0.0 110.551 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -68.84 -44.42 73.46 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 123.353 0.408 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.44 -39.63 94.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.92 -39.01 93.25 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 123.403 0.439 . . . . 0.0 110.849 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -62.2 -43.64 98.36 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.197 0.311 . . . . 0.0 110.702 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -73.29 -38.83 65.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.72 -45.76 88.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.203 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.63 -34.8 78.64 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.444 0.465 . . . . 0.0 110.671 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -60.63 -46.91 88.51 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.48 -37.31 74.22 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -63.89 -38.12 89.92 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.332 0.395 . . . . 0.0 111.076 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.92 -45.73 80.81 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.345 0.403 . . . . 0.0 110.016 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.55 -42.08 92.27 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -63.24 -38.55 91.59 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.463 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.25 -38.56 87.14 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.96 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.54 -42.73 99.72 Favored 'General case' 0 C--O 1.232 0.17 0 O-C-N 123.44 0.462 . . . . 0.0 110.035 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.89 -43.96 91.22 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.011 179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.79 -42.72 98.13 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.231 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -67.92 -44.49 76.75 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.764 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 66.6 mtm -65.08 -45.51 84.99 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.566 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -63.7 -41.27 98.14 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.587 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.47 -33.91 74.99 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.51 0.506 . . . . 0.0 110.694 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.78 -40.83 89.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.584 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -56.81 -39.48 74.23 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.413 0.446 . . . . 0.0 110.047 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -94.33 2.88 55.8 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.474 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 84.0 mtm-85 63.13 176.77 0.15 Allowed 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.011 0.525 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 76.7 p -129.64 153.59 47.96 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.414 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.65 -44.91 89.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 46.6 t -161.11 168.45 24.3 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.979 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -63.45 -36.96 85.49 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -46.25 117.54 1.6 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.056 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -122.69 133.77 54.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.411 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 81.33 25.72 53.83 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 87.2 p -80.11 -15.61 56.75 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.456 0.169 . . . . 0.0 111.016 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 35.9 m -99.29 26.35 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 120.832 0.348 . . . . 0.0 110.594 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -81.05 -17.97 48.34 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.39 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -129.87 144.71 51.45 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -70.98 -179.12 2.16 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.203 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 14.7 tp -90.55 126.13 35.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.526 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 74.3 mt -130.21 150.9 51.25 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.339 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -61.42 142.61 56.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.54 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 31.2 p -153.35 159.05 42.38 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.594 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 87.0 p -92.17 1.34 57.27 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.424 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -62.78 -39.75 95.18 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 122.207 0.203 . . . . 0.0 110.763 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 77.8 mtm 55.12 177.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.483 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -105.57 155.39 19.25 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.606 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 128.14 170.86 12.89 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -136.37 149.67 48.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.481 0.181 . . . . 0.0 110.516 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.52 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.49 151.72 21.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.577 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -121.92 145.57 47.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.77 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 p -104.24 81.19 1.8 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.585 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -89.26 18.74 4.85 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.499 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.7 p -60.19 -41.73 93.57 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.986 0.422 . . . . 0.0 111.083 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.45 -42.25 80.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.939 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -64.34 -43.42 94.64 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.08 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.2 p -63.08 -37.24 78.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.45 -41.53 85.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.64 -45.05 93.15 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.095 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.82 -39.54 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.28 -45.26 84.27 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.51 -35.78 75.84 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.347 0.404 . . . . 0.0 110.366 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.66 -36.31 78.4 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.772 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.4 p -80.78 -37.51 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.719 -177.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -172.71 92.66 0.38 Allowed Pre-proline 0 CA--C 1.548 0.897 0 O-C-N 123.267 0.354 . . . . 0.0 110.678 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.03 -33.5 95.82 Favored 'Trans proline' 0 N--CA 1.505 2.168 0 C-N-CA 122.616 2.21 . . . . 0.0 112.959 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -59.24 -46.05 89.53 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.023 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.6 p -76.87 132.07 38.94 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.302 0.376 . . . . 0.0 110.824 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.0 174.81 20.99 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.8 tt -137.94 141.82 37.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.756 0.313 . . . . 0.0 110.277 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -80.57 162.26 24.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.065 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -61.98 -37.77 86.07 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 123.323 0.649 . . . . 0.0 109.895 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.83 -44.94 84.06 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.143 0.577 . . . . 0.0 111.001 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.13 93.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 ttm -62.41 -45.42 93.21 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.328 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.59 -39.23 97.61 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.31 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.56 -41.58 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.0 mmm -61.01 -36.24 78.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.257 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.27 -42.24 98.3 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 m -67.19 -33.99 76.57 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.463 0.477 . . . . 0.0 110.478 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -60.42 -44.28 95.91 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.7 t -66.93 -43.75 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.078 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -62.68 -41.02 98.88 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.787 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -60.35 -48.63 80.93 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 96.7 mt -67.4 -40.66 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.239 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -54.76 -46.19 74.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.71 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.85 -41.1 83.45 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.421 0.451 . . . . 0.0 112.142 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.23 -46.42 83.9 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 94.9 mt -64.08 -43.11 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.242 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.95 -40.36 80.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.264 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.56 -43.03 87.39 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.18 -43.29 92.13 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.08 95.88 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.6 t -62.26 -42.54 99.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.555 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -62.72 -41.58 99.22 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.648 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.56 -41.51 98.96 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.42 83.82 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.417 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -62.37 -40.18 95.6 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.298 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -61.88 -41.83 98.34 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.617 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -90.52 -2.92 57.91 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.326 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.9 mttt 51.99 29.54 6.33 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 111.338 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -68.85 -37.6 79.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.11 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 t 72.04 -5.89 1.63 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.499 0.32 . . . . 0.0 111.675 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.4 m -127.77 128.13 44.79 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.486 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 84.4 mt -84.51 135.23 25.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.2 p -132.39 174.47 10.21 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.88 0.738 . . . . 0.0 111.476 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.1 t -56.62 -37.72 71.11 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.034 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -60.15 -43.18 95.96 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.244 0.34 . . . . 0.0 111.117 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.486 ' OE2' ' HA ' ' A' ' 65' ' ' ILE . 97.6 mt-10 -62.22 -39.14 91.8 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.41 0.444 . . . . 0.0 110.776 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.4 -42.88 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.218 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -61.56 -41.79 97.89 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.226 0.329 . . . . 0.0 111.093 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m -63.47 -45.96 88.42 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.19 0.306 . . . . 0.0 110.717 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.84 92.66 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.53 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.89 -44.33 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.254 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -63.14 -38.77 92.49 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.7 -33.31 53.19 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.3 mt -81.73 -37.1 27.82 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.8 mp -97.95 152.37 38.03 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.47 159.16 20.62 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.274 1.983 . . . . 0.0 111.522 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.38 -46.78 63.79 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.482 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -63.34 -47.54 81.74 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.776 0.288 . . . . 0.0 111.448 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.65 -37.28 87.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.23 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.73 75.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.153 -179.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -59.23 -45.58 90.77 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.254 0.346 . . . . 0.0 110.86 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -67.76 -38.76 83.89 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.371 0.42 . . . . 0.0 110.907 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.84 78.86 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.458 0.474 . . . . 0.0 110.838 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.1 t -62.64 -42.76 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 O-C-N 123.434 0.459 . . . . 0.0 109.805 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -63.33 -42.22 98.96 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 125.206 1.402 . . . . 0.0 110.645 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.61 -45.35 68.77 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.36 -40.88 79.83 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.6 p -62.82 -45.93 90.33 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.432 0.158 . . . . 0.0 110.648 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.95 -37.6 88.02 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.614 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.37 90.88 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.243 0.339 . . . . 0.0 110.256 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 86.1 t -66.1 -43.97 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.9 m -59.49 -42.82 93.03 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.826 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -63.44 -39.04 93.41 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 109' ' ' ARG . 67.7 t80 -62.27 -46.35 89.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.072 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 m -69.75 -38.41 76.78 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.031 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.5 t -59.3 -33.35 70.98 Favored 'General case' 0 CA--C 1.496 -1.11 0 C-N-CA 126.069 1.748 . . . . 0.0 109.827 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -88.14 137.71 32.09 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.65 129.33 55.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.437 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 70.33 -64.33 0.37 Allowed 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.255 0.347 . . . . 0.0 110.659 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 54.42 -178.42 0.03 OUTLIER 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.447 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -102.15 -47.58 4.49 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.785 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.3 t -137.78 161.26 37.04 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.268 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -65.37 -39.56 92.43 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 m -59.68 -42.43 92.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.3 m -64.18 -38.94 92.87 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.43 0.456 . . . . 0.0 110.939 179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 97' ' ' TYR . 70.9 mtp180 -62.12 -34.72 76.87 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.393 0.433 . . . . 0.0 110.887 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.18 -31.42 20.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.229 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.65 29.65 57.42 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.3 mt -104.85 134.98 47.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.559 0.219 . . . . 0.0 110.567 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -59.15 -44.44 92.08 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.297 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.23 143.91 95.06 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.465 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -66.63 103.23 0.67 Allowed 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.116 1.877 . . . . 0.0 111.727 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.77 -42.18 93.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.421 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.76 -43.88 96.17 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 44.2 mtm-85 -65.23 -35.96 82.67 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.558 0.179 . . . . 0.0 111.388 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.9 t -58.77 -44.32 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -61.21 -43.91 98.12 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.373 0.42 . . . . 0.0 110.384 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.36 -38.21 87.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.07 -40.1 94.65 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.443 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.57 -43.44 98.85 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.306 0.379 . . . . 0.0 110.644 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.73 -41.48 95.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.902 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -62.86 -40.69 98.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.45 -9.53 24.87 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 23.6 m120 57.4 31.45 20.22 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.83 0.315 . . . . 0.0 111.503 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -66.72 -40.91 88.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.139 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.0 p -147.47 163.29 36.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.461 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.2 -38.43 87.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -128.49 149.59 50.52 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 94.3 t -124.89 137.51 57.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -86.61 174.98 47.01 Favored Glycine 0 N--CA 1.464 0.553 0 N-CA-C 111.529 -0.628 . . . . 0.0 111.529 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -89.74 -48.73 7.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.383 -0.409 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.57 -31.33 79.43 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.925 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -57.88 -61.17 7.89 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.868 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.47 -30.52 90.96 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.838 1.692 . . . . 0.0 111.679 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 96.8 t -65.75 -43.53 93.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 11.4 t80 -65.44 -43.25 91.03 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.145 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 32.5 tp -62.27 -42.57 99.45 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.665 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.88 88.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.038 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.26 87.18 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.486 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.72 -44.56 98.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.409 -179.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.33 -40.78 97.48 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.401 0.438 . . . . 0.0 111.086 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.94 -43.61 94.87 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.398 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -61.63 -47.59 84.7 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.41 -41.38 98.64 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.8 m -61.52 -45.57 93.64 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 123.361 0.413 . . . . 0.0 110.955 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.9 86.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.862 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -63.89 -42.77 97.39 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.286 0.366 . . . . 0.0 111.385 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 92.5 mt -65.98 -43.44 92.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.296 0.372 . . . . 0.0 110.33 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.38 -40.68 95.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 -178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.14 -45.42 77.13 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.259 0.349 . . . . 0.0 110.424 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.14 -40.7 98.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.207 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.89 -37.28 84.0 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.372 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.89 95.59 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -63.8 -42.53 97.7 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.29 86.1 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.62 -36.42 83.66 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.838 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.3 -43.75 96.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.696 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.55 -33.95 77.1 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.405 0.441 . . . . 0.0 110.386 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -92.84 11.47 27.01 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.641 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 55.63 66.4 1.22 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.225 0.536 . . . . 0.0 110.999 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -140.91 151.95 44.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.657 179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 18.8 p -111.65 11.16 21.11 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.496 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -124.98 148.69 48.3 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.347 0.259 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 75.4 mt -106.08 112.73 40.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . 0.4 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 23.1 pt -113.35 161.04 29.09 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.054 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 9.6 Cg_endo -47.92 -32.34 17.51 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 122.201 1.934 . . . . 0.0 112.117 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -62.33 -43.92 97.69 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.18 -43.03 79.05 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.62 -42.84 99.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.828 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.69 -40.39 92.29 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.378 0.424 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.96 -40.64 98.3 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.474 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . 0.408 ' HA ' ' ND2' ' A' ' 178' ' ' ASN . . . -64.03 -43.64 94.95 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 123.597 0.561 . . . . 0.0 111.693 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.79 -42.8 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.17 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.59 -36.93 85.44 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . 0.41 ' C ' ' OD1' ' A' ' 178' ' ' ASN . 20.1 p30 -77.19 -10.63 59.53 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -113.11 112.25 23.51 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.81 -34.4 74.47 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -64.59 -48.02 76.5 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.365 0.416 . . . . 0.0 110.77 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 68.7 mt -67.9 -37.59 81.92 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.523 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -59.86 -43.61 94.6 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.399 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -65.17 -42.66 93.47 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.868 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.05 -42.6 99.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 80.4 mt -102.06 22.1 13.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.97 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -57.06 -24.85 52.36 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -104.09 16.83 25.38 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 88.8 t -122.78 130.08 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 42.0 m -115.54 126.98 54.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.63 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 68.8 mt -112.14 127.25 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.902 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -144.22 143.14 30.91 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.527 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -66.53 129.01 38.43 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.168 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.803 0 CA-C-O 117.936 -1.48 . . . . 0.0 111.14 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -111.25 133.74 53.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.026 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 42.4 pt -134.23 154.81 38.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.001 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -110.23 140.15 44.67 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.58 126.24 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -113.81 152.51 30.55 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.117 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.0 p -121.43 161.97 21.26 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.308 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.06 -24.42 66.19 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 54.8 p -68.4 -19.76 64.63 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 119.562 -1.961 . . . . 0.0 111.172 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.19 11.18 37.3 Favored Glycine 0 C--N 1.354 1.556 0 O-C-N 121.41 -0.806 . . . . 0.0 112.65 -172.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -88.88 152.01 22.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 117.158 0.479 . . . . 0.0 110.195 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 19.3 m -136.73 127.96 28.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.425 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.8 pt -127.09 134.18 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -88.2 127.0 35.43 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.753 0.787 . . . . 0.0 110.447 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 tp -123.26 141.85 51.55 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.663 0.785 . . . . 0.0 110.807 -174.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -109.81 114.88 28.81 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.082 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -137.08 169.41 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.977 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -116.03 154.56 48.46 Favored Pre-proline 0 CA--C 1.541 0.625 0 O-C-N 123.279 0.362 . . . . 0.0 110.64 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -54.38 -32.93 74.74 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.282 1.988 . . . . 0.0 112.436 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -81.45 -12.46 58.89 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.39 140.22 54.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.567 0.222 . . . . 0.0 110.583 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 72.7 p -83.2 162.14 21.33 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.911 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 47.6 mm -65.2 -40.75 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.9 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -55.19 -41.64 72.2 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.66 -39.98 95.69 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.411 0.444 . . . . 0.0 110.001 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.0 -42.97 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -60.3 -39.95 88.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.685 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.2 86.2 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.42 -40.06 96.16 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.059 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.45 -41.98 93.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -56.53 -37.79 70.94 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.54 -34.58 78.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.909 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -78.65 -47.2 17.52 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -178.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -94.77 -40.2 9.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.463 1.905 . . . . 0.0 115.929 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.62 30.3 24.54 Favored Glycine 0 C--N 1.354 1.536 0 C-N-CA 126.177 1.846 . . . . 0.0 112.18 -168.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -96.07 140.94 22.5 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -54.75 117.77 4.36 Favored 'Trans proline' 0 N--CA 1.504 2.109 0 C-N-CA 122.212 1.941 . . . . 0.0 112.517 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -54.31 -41.32 77.4 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.362 2.041 . . . . 0.0 112.828 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.33 -30.11 70.93 Favored 'General case' 0 N--CA 1.436 -1.128 0 O-C-N 120.482 -1.387 . . . . 0.0 109.113 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -88.16 10.09 20.57 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.575 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -103.82 132.26 50.25 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-O 120.775 0.322 . . . . 0.0 111.553 -179.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.416 ' NE ' ' CZ ' ' C' ' 680' ' ' PHE . 37.5 mtt-85 -116.03 121.53 42.5 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.696 178.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.1 mt -105.99 134.72 48.66 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.8 mt -122.96 136.35 60.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.87 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -124.11 128.25 49.01 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.82 22.37 8.5 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.52 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.52 15.55 70.86 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -112.17 135.82 52.36 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.012 0.406 . . . . 0.0 110.356 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -62.69 147.8 48.43 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 123.454 0.471 . . . . 0.0 110.077 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.7 mt -114.36 135.15 54.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.035 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -91.36 145.77 24.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.164 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -66.04 -37.11 85.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.784 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.9 -8.29 86.63 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 113.326 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -92.74 164.97 13.17 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 117.246 0.523 . . . . 0.0 111.036 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 18.5 p -111.11 162.77 14.57 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.734 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.95 -40.75 96.64 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.589 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -59.3 -31.53 69.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.634 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -62.47 -32.6 73.51 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.081 0.238 . . . . 0.0 111.318 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 59.7 m-85 -91.36 12.06 21.71 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.199 0.312 . . . . 0.0 111.785 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 m120 57.3 40.03 28.06 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.026 0.441 . . . . 0.0 111.282 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -83.14 129.48 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.9 -174.86 2.64 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -60.28 143.8 51.95 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.163 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 57.29 86.76 0.07 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.021 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 56.7 p -129.2 153.03 48.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.3 m -106.64 124.99 50.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.595 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 64.4 mt -123.34 125.01 44.23 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.957 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -89.23 151.65 22.03 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.554 0.534 . . . . 0.0 110.13 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 19.0 tp -110.94 129.48 55.87 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.157 0.504 . . . . 0.0 112.076 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 15.1 t -129.93 162.57 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.633 178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 11.1 tp -108.61 123.99 49.81 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.78 -178.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -81.05 135.51 35.84 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.9 mt -127.81 -1.82 5.98 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.249 0.343 . . . . 0.0 111.857 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -62.28 -44.05 97.42 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.29 179.58 48.01 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.884 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -149.73 162.74 39.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.644 0.259 . . . . 0.0 110.49 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 95.8 mtp -65.36 -41.73 93.51 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.721 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 6.8 t0 62.03 82.09 0.22 Allowed Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.233 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.42 -16.3 43.12 Favored 'Trans proline' 0 N--CA 1.502 1.994 0 C-N-CA 122.196 1.931 . . . . 0.0 112.832 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.61 -42.53 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.27 -44.02 95.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.025 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -65.83 -40.74 92.07 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.144 0.278 . . . . 0.0 110.752 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.16 -40.69 90.73 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.11 -38.65 91.82 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.04 -43.85 98.28 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.257 0.348 . . . . 0.0 110.556 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -67.2 -43.25 82.56 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.395 0.435 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.7 -39.93 94.5 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.272 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.29 -41.25 98.34 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.302 0.376 . . . . 0.0 110.899 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.33 -42.44 99.38 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.366 0.416 . . . . 0.0 110.803 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -71.64 -39.59 70.29 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' C' ' 670' ' ' ARG . 43.5 tt0 -63.46 -47.3 82.37 Favored 'General case' 0 CA--C 1.516 -0.351 0 O-C-N 123.38 0.425 . . . . 0.0 109.99 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -61.89 -34.36 75.88 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 123.895 0.747 . . . . 0.0 110.743 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -60.67 -40.57 92.59 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -35.28 75.27 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.678 178.728 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' C' ' 666' ' ' GLU . 54.2 mtm180 -65.6 -40.19 92.37 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.309 0.381 . . . . 0.0 110.7 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.4 -46.29 73.67 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.269 0.356 . . . . 0.0 110.539 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.36 -42.06 88.6 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -62.6 -38.8 91.58 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.411 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 23.2 tp -62.45 -37.17 84.87 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.831 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.92 -42.99 99.98 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.412 0.445 . . . . 0.0 110.289 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 81.4 mt -63.25 -42.47 99.2 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -61.16 -42.55 98.76 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.224 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.9 -45.19 78.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.706 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 75.1 mtm -66.63 -43.4 84.79 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.407 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . 0.416 ' CZ ' ' NE ' ' B' ' 42' ' ' ARG . 17.7 m-85 -64.03 -41.81 97.3 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.519 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.47 -35.04 79.71 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.494 0.497 . . . . 0.0 110.355 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -62.43 -41.09 98.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.632 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.43 -37.7 88.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.366 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -65.93 -46.36 78.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -131.61 136.27 47.63 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.676 0.61 . . . . 0.0 111.08 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 19.5 p -66.57 -39.12 88.33 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.685 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 41.4 t -88.48 126.17 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 6.4 m -84.71 132.24 34.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -139.96 148.82 42.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.325 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.08 133.5 50.88 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.439 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -61.13 -39.8 91.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.332 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -81.85 84.82 1.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 60.6 p -101.03 -37.77 8.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.631 0.253 . . . . 0.0 110.806 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 87.2 t -118.64 135.13 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.614 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -127.71 157.73 39.53 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.688 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 60.18 158.93 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.416 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.82 165.32 19.94 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 60.4 mt -80.47 131.86 35.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.833 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 35.0 mt -132.63 148.53 52.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -91.48 97.57 11.15 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.98 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.51 -49.93 0.03 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.696 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 21.1 p -73.2 155.05 39.98 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.75 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -112.61 137.05 51.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.621 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 91.3 mmm -96.54 136.83 36.51 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -147.75 151.59 36.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.608 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -97.94 150.4 19.43 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -103.59 29.22 5.87 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 76.9 tttt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.399 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.94 32.24 2.99 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.683 0.278 . . . . 0.0 110.821 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -66.44 -35.91 81.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.27 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.6 77.93 0.31 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -103.39 15.13 29.86 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.4 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.6 p -57.8 -41.61 82.48 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.731 0.301 . . . . 0.0 110.804 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.8 mt -67.06 -43.31 88.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.969 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -64.72 -43.89 91.96 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.02 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.05 -36.29 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.15 -44.67 75.33 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.72 -42.04 96.5 Favored 'General case' 0 C--O 1.231 0.127 0 O-C-N 123.646 0.592 . . . . 0.0 109.838 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.1 t -60.54 -43.72 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.2 tp -60.62 -37.37 81.22 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.792 -179.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -65.56 -39.06 91.25 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -36.43 59.22 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.545 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 p -82.5 -30.52 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.703 -178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.06 90.92 0.23 Allowed Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.138 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -69.98 -27.18 25.72 Favored 'Trans proline' 0 N--CA 1.505 2.152 0 C-N-CA 122.401 2.067 . . . . 0.0 113.117 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.01 -44.22 85.42 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.318 0.386 . . . . 0.0 111.859 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.1 p -77.15 134.84 38.56 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.182 0.301 . . . . 0.0 110.69 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.85 176.11 21.91 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 tt -143.17 144.56 23.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.735 0.303 . . . . 0.0 110.257 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.5 p -73.1 152.57 41.15 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.239 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -59.87 -38.03 81.01 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 123.981 0.912 . . . . 0.0 109.548 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -66.1 -42.32 89.43 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 123.925 0.89 . . . . 0.0 110.628 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.43 91.01 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.018 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.3 tpp -63.98 -42.4 97.23 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.432 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.78 -39.05 96.94 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.57 -41.48 92.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 86.8 mmm -61.12 -38.56 86.81 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.042 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -60.35 -40.87 92.26 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.382 0.426 . . . . 0.0 109.98 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.0 t -63.5 -38.42 91.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.191 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -61.25 -44.16 97.71 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.805 179.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.94 -45.65 94.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.8 -40.47 95.28 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.409 0.443 . . . . 0.0 111.012 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.38 -43.66 93.79 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.363 0.415 . . . . 0.0 111.361 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.6 mm -63.4 -41.47 92.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.813 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -56.4 -45.08 80.79 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -64.21 -44.77 90.9 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.279 0.362 . . . . 0.0 111.882 -178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -63.71 -47.32 81.61 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.63 -43.01 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 O-C-N 123.261 0.351 . . . . 0.0 110.13 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.05 98.65 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.279 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.52 -42.35 98.94 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -67.97 -40.74 83.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.67 93.48 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 123.453 0.471 . . . . 0.0 110.43 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.7 p -61.81 -44.56 96.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.271 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.6 mtm-85 -66.82 -41.63 87.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.464 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.52 -41.9 99.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.671 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.19 86.79 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.439 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -61.86 -41.21 97.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.273 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -62.14 -39.77 93.71 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.407 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -87.64 5.29 40.28 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 56.97 39.69 29.24 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.961 0.41 . . . . 0.0 111.552 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -103.98 113.95 27.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.379 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.8 m -73.25 -22.75 60.33 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.328 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -106.88 127.01 53.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.879 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.3 mt -79.53 135.51 25.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.0 p -133.02 172.04 13.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.019 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.1 p -61.22 -31.01 70.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.903 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -61.38 -47.17 87.06 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -66.35 -38.81 88.46 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 84.5 mt -65.34 -42.68 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.643 -178.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -56.47 -42.81 78.86 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.36 0.413 . . . . 0.0 110.527 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.1 m -61.08 -45.25 95.52 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.409 0.443 . . . . 0.0 110.009 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.95 87.13 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.518 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.8 t -61.93 -45.27 99.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.271 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.52 -38.51 91.39 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.32 0.388 . . . . 0.0 111.284 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.6 mt -73.98 -33.02 63.69 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.2 mt -82.76 -37.3 24.78 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.5 mp -93.96 145.95 30.78 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -51.88 -179.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.339 2.026 . . . . 0.0 111.818 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.48 67.69 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 116.42 -0.355 . . . . 0.0 112.906 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -67.73 -40.17 84.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.712 0.256 . . . . 0.0 111.488 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.48 -40.98 98.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.144 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.82 98.04 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.465 0.478 . . . . 0.0 111.915 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.9 -47.31 86.96 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.013 0.196 . . . . 0.0 111.462 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.3 m80 -70.71 -36.34 73.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.245 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.68 -36.85 79.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.2 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.3 t -61.19 -44.04 97.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 123.331 0.395 . . . . 0.0 110.37 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.6 t -60.61 -40.31 91.36 Favored 'General case' 0 N--CA 1.423 -1.792 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.09 -50.1 51.27 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.541 1.136 . . . . 0.0 111.952 -175.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.36 -45.31 38.93 Favored Glycine 0 CA--C 1.526 0.733 0 O-C-N 123.443 0.465 . . . . 0.0 112.584 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.2 m -59.83 -48.61 81.01 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.254 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -65.43 -36.55 84.26 Favored 'General case' 0 N--CA 1.461 0.102 0 O-C-N 123.566 0.541 . . . . 0.0 111.187 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.39 88.85 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.236 0.335 . . . . 0.0 110.144 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.9 t -66.19 -45.23 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.5 m -61.88 -43.58 98.56 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -59.32 -38.7 80.93 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -59.3 -48.04 83.13 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.2 m -66.13 -39.72 90.09 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.441 0.463 . . . . 0.0 110.887 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.6 p -69.11 -15.56 63.46 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 120.775 -1.203 . . . . 0.0 110.536 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 t -61.21 -42.68 99.02 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 117.735 0.243 . . . . 0.0 110.82 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 69.09 -70.3 0.14 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.327 0.392 . . . . 0.0 110.331 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.2 t -118.49 132.04 56.24 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.852 0.358 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -169.71 150.66 4.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.323 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -103.17 -13.11 16.91 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.632 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 m -119.77 132.46 55.62 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -64.42 -43.11 95.37 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -63.19 -37.13 86.0 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.745 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.3 t -61.72 -39.61 92.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -61.27 -34.71 75.61 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 -179.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.14 -31.83 20.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.472 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.78 26.76 62.02 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.44 140.82 36.96 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -42.93 96.69 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.247 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -62.57 136.86 96.23 Favored Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.666 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -60.61 106.61 0.37 Allowed 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.267 1.978 . . . . 0.0 111.965 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.72 -42.21 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.084 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.84 -38.9 96.07 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -62.37 -41.54 98.7 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.92 -43.66 92.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -57.29 -45.35 84.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.49 -38.19 89.03 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 123.472 0.483 . . . . 0.0 111.248 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 45.3 mt -61.48 -41.95 98.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.466 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.32 -42.78 99.65 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.304 0.377 . . . . 0.0 111.036 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -68.06 -42.57 80.28 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.082 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.07 -37.9 89.11 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.724 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.77 -6.71 18.52 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 56.34 28.62 13.72 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.978 0.389 . . . . 0.0 111.643 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -66.63 -39.59 88.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.8 p -149.29 161.68 41.55 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.519 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.36 -36.88 84.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -132.3 146.86 52.29 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.445 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.3 t -125.97 135.02 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.407 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.81 177.23 52.3 Favored Glycine 0 N--CA 1.465 0.608 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -91.16 -34.81 14.88 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.979 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.18 -35.14 91.31 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.807 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -60.94 -59.84 12.57 Favored Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.882 -0.58 . . . . 0.0 110.597 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -54.92 -39.86 88.37 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.86 1.706 . . . . 0.0 111.354 179.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 93.3 t -63.06 -45.41 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -61.94 -46.78 87.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.336 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 32.9 tp -63.64 -40.18 96.23 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.67 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.58 85.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.79 -38.62 91.61 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.315 0.385 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.14 -43.7 92.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.205 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 47.4 mt -61.28 -41.42 96.92 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -64.76 -36.6 84.82 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.346 0.404 . . . . 0.0 110.397 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -60.62 -48.84 79.98 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.481 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 46.0 mt -64.39 -40.24 95.41 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.354 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 12.3 m -62.02 -44.93 95.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.23 97.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.962 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -68.44 -41.73 79.86 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.38 -44.35 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 O-C-N 123.283 0.365 . . . . 0.0 110.117 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.06 -40.97 99.28 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.359 0.412 . . . . 0.0 111.737 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -66.51 -45.87 78.11 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.659 0.266 . . . . 0.0 110.709 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 74.5 mt -64.6 -39.3 93.47 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.38 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.1 -38.32 82.6 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.19 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.52 96.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -62.68 -43.82 97.82 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.193 -0.203 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.73 97.19 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.33 -40.84 95.72 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.025 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -63.22 -39.68 95.31 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.418 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.46 -34.37 75.32 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -93.83 14.12 20.38 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.51 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 55.3 50.81 14.19 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.185 0.516 . . . . 0.0 111.288 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -138.39 124.47 20.19 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.798 179.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 68.2 p -73.49 -35.1 65.61 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.907 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -77.83 149.41 34.38 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.124 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 64.5 mt -104.03 131.42 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.344 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 31.3 pt -129.86 166.65 24.67 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.218 -179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.66 -35.56 47.66 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.272 1.982 . . . . 0.0 112.112 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.7 ttm-85 -61.53 -41.51 97.44 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -66.69 -42.1 87.0 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.292 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.7 -44.4 97.01 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -67.3 -36.27 81.16 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.357 0.411 . . . . 0.0 110.721 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.94 -44.8 96.02 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -67.02 -41.51 86.5 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.312 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.68 -44.08 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.333 -179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -65.83 -35.06 79.62 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.362 0.414 . . . . 0.0 111.374 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -77.26 -17.39 58.44 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.146 0.279 . . . . 0.0 111.541 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -103.0 113.54 27.09 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -62.44 -36.38 82.22 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.533 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.25 -49.02 71.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.62 -39.46 93.75 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.303 0.377 . . . . 0.0 110.218 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.76 -38.64 85.91 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 123.623 0.577 . . . . 0.0 109.713 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.79 -45.83 92.19 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.065 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.26 -40.67 81.83 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 75.3 mt -92.89 20.4 6.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.129 -178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.0 -34.28 71.88 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -96.21 8.42 43.91 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 59.2 t -127.53 130.2 70.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.2 m -124.34 127.56 47.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.712 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 60.4 mt -111.63 70.66 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.918 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -122.63 151.53 41.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -116.79 130.07 56.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.138 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.82 0 CA-C-O 117.994 -1.448 . . . . 0.0 111.011 -179.875 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -101.36 133.02 46.6 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.789 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 40.8 pt -131.34 161.67 40.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.992 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -112.52 143.33 43.85 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.914 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.8 t -120.06 127.41 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -112.7 152.19 29.33 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.373 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 49.9 p -123.03 162.73 21.81 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.343 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.61 -21.06 66.16 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.343 0.402 . . . . 0.0 110.952 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 48.2 p -71.46 -24.28 61.98 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 120.091 -1.631 . . . . 0.0 111.555 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.82 13.02 24.8 Favored Glycine 0 C--N 1.358 1.767 0 O-C-N 121.08 -1.013 . . . . 0.0 112.529 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -91.4 150.9 21.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.131 0.466 . . . . 0.0 110.16 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.2 m -132.02 127.72 36.8 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.5 pt -126.72 137.64 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.212 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -87.79 129.54 35.15 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.1 tp -126.6 139.0 53.52 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.572 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -108.49 115.79 30.77 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.259 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.8 m -139.58 162.25 26.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.155 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.81 148.88 35.39 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 123.208 0.318 . . . . 0.0 110.64 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.85 -36.09 81.75 Favored 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.424 2.083 . . . . 0.0 112.329 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -81.37 -11.41 59.3 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.263 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.22 144.83 56.59 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.581 0.229 . . . . 0.0 110.612 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.4 p -81.98 159.94 23.43 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.109 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.8 mm -65.52 -42.28 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.672 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -55.99 -38.44 70.43 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.33 0.394 . . . . 0.0 110.284 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -64.09 -40.3 95.94 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.227 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.36 -43.1 96.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.782 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.9 -38.7 79.5 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.58 97.79 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.299 0.375 . . . . 0.0 110.294 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.13 -40.26 95.79 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.797 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.2 mt -63.5 -41.19 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -54.21 -38.49 65.73 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -65.78 -39.38 90.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.936 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -77.43 -45.25 26.4 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -89.08 -40.07 13.2 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.725 1.61 . . . . 0.0 114.27 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.03 23.43 52.19 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 124.631 1.11 . . . . 0.0 111.813 -171.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.0 mt -98.44 139.47 21.19 Favored Pre-proline 0 CA--C 1.547 0.864 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.069 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.87 124.4 16.17 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.032 1.821 . . . . 0.0 112.123 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -54.07 -36.08 83.62 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.4 2.067 . . . . 0.0 112.576 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -65.09 -37.49 87.67 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -86.27 10.79 13.73 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 122.241 -0.287 . . . . 0.0 111.479 -173.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -110.15 136.18 49.78 Favored 'General case' 0 C--N 1.345 0.4 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -114.19 120.65 41.21 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -103.95 136.22 44.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -130.41 138.09 54.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 123.494 0.496 . . . . 0.0 110.652 -178.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -123.59 126.78 47.27 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.92 26.68 10.08 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.598 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.31 14.6 76.19 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 112.374 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -114.06 135.2 54.28 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.055 0.427 . . . . 0.0 109.924 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.94 151.57 39.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 O-C-N 123.427 0.454 . . . . 0.0 110.356 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.4 mt -118.21 128.2 54.47 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.711 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -85.23 142.16 29.61 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.224 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.49 -42.36 99.43 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.596 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.76 -13.97 72.35 Favored Glycine 0 CA--C 1.533 1.159 0 O-C-N 123.543 0.527 . . . . 0.0 113.053 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -90.37 157.04 17.82 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 117.106 0.453 . . . . 0.0 110.821 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.2 p -103.44 167.34 9.87 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.463 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.36 -40.69 97.24 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.254 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.0 p -57.76 -29.32 64.71 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.584 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.53 -34.32 75.33 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.181 0.301 . . . . 0.0 111.267 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -92.04 11.28 25.83 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 57.91 35.46 25.37 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 120.975 0.417 . . . . 0.0 111.166 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.0 mt -74.88 130.77 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -108.28 -179.58 3.92 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.948 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -56.55 141.27 43.63 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.741 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 58.09 82.93 0.12 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.301 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.4 m -125.56 152.78 44.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.119 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -105.65 121.93 45.01 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 72.8 mt -114.05 123.81 50.59 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.905 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -84.73 144.2 28.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.905 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.9 tp -110.27 126.38 54.11 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.24 0.543 . . . . 0.0 111.725 -177.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.4 t -131.82 164.73 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.444 178.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 16.9 tp -97.73 117.4 31.94 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -85.87 130.5 34.53 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 71.4 mt -115.86 108.12 15.88 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.961 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -140.31 158.78 43.5 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.756 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.68 142.59 38.77 Favored Glycine 0 C--N 1.337 0.598 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -59.42 -42.02 90.87 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.639 0.257 . . . . 0.0 110.794 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 96.3 mmm -82.17 143.2 31.58 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.741 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -90.63 -59.82 0.23 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.91 -30.17 83.39 Favored 'Trans proline' 0 N--CA 1.507 2.291 0 C-N-CA 122.364 2.043 . . . . 0.0 113.003 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 50.9 mt -61.12 -43.5 98.78 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.255 0.347 . . . . 0.0 110.745 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -64.53 -40.6 95.9 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.196 0.31 . . . . 0.0 110.747 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.97 -38.5 82.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 73.6 mtm -65.41 -37.51 87.17 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.411 0.444 . . . . 0.0 110.89 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.83 -44.54 95.86 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.142 0.276 . . . . 0.0 110.635 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.66 -44.69 85.52 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.415 0.447 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.57 -39.63 91.87 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.86 -38.71 91.89 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.32 0.387 . . . . 0.0 110.995 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.74 -43.3 96.91 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.289 0.368 . . . . 0.0 110.955 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -72.86 -41.2 65.02 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.41 -46.03 85.02 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.336 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -66.17 -34.53 78.25 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 123.454 0.471 . . . . 0.0 110.979 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -59.73 -46.3 89.55 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.57 -34.54 76.0 Favored 'General case' 0 C--O 1.227 -0.132 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.46 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -65.6 -38.55 89.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.312 0.383 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -64.13 -46.99 81.68 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.345 0.403 . . . . 0.0 110.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.23 -41.52 85.53 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -62.57 -38.68 91.03 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.826 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.16 -39.93 91.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.945 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -62.38 -43.57 98.52 Favored 'General case' 0 C--O 1.231 0.097 0 O-C-N 123.377 0.423 . . . . 0.0 110.306 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 63.6 mt -66.86 -42.79 85.1 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -60.48 -42.61 96.61 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.925 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -70.77 -43.12 69.42 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.538 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 67.2 mtm -65.19 -43.37 91.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.295 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -62.2 -42.16 99.03 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.506 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.1 -35.07 79.0 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 123.499 0.5 . . . . 0.0 110.495 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.82 -38.11 89.89 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.295 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.63 -23.41 66.02 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.543 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' C' ' 685' ' ' ARG . 50.5 mmm-85 -54.38 -53.83 48.67 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.699 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' C' ' 684' ' ' ARG . 55.0 ttt85 162.4 -33.75 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.023 0 C-N-CA 123.672 0.789 . . . . 0.0 110.847 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 1.1 m 72.34 52.6 0.18 Allowed 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.067 0.461 . . . . 0.0 110.192 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.58 -45.78 94.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.938 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 73.9 m -138.79 163.01 33.34 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.384 0.428 . . . . 0.0 111.02 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -64.34 156.89 27.69 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.456 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -90.9 58.53 3.84 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.773 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -62.38 -44.79 95.63 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.076 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 75.01 -179.22 45.37 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 35.3 t -155.26 154.62 32.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.571 0.224 . . . . 0.0 110.664 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 35.1 m -114.15 37.05 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.418 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -95.27 107.87 20.0 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -85.32 -67.33 0.81 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.218 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -143.05 143.41 31.86 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.162 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.24 147.87 46.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.104 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 75.7 mt -138.81 132.77 31.12 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.431 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -65.34 -34.56 78.61 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.772 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 47.3 t -59.58 -43.55 93.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.893 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 32.7 t -142.31 135.17 28.44 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -89.51 121.73 32.01 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.633 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 95.6 mmm -62.03 -42.04 98.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.591 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -67.88 142.36 56.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 73.44 31.27 61.19 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -124.66 143.16 50.89 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.627 0.251 . . . . 0.0 110.485 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.466 179.765 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.17 170.13 17.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.587 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -63.46 131.41 48.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.87 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.8 t -111.62 94.25 4.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.455 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -103.99 18.38 22.14 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.596 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 78.3 p -58.41 -41.83 85.84 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 -179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.2 mm -69.39 -42.31 81.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.83 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -63.8 -43.27 96.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.032 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 p -62.56 -36.05 73.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -57.23 -42.88 82.24 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.69 -41.39 95.07 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.766 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.96 -43.51 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 32.0 tp -60.25 -37.61 80.94 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.934 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -63.63 -37.48 87.49 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.811 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.43 -35.38 30.72 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.2 -36.18 20.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.662 -178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -169.59 90.49 0.56 Allowed Pre-proline 0 CA--C 1.547 0.847 0 O-C-N 123.417 0.448 . . . . 0.0 110.265 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -53.68 -37.6 83.96 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 C-N-CA 122.481 2.121 . . . . 0.0 112.838 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.34 -41.88 98.94 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.428 0.455 . . . . 0.0 111.771 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.9 p -73.94 134.72 43.18 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.32 0.388 . . . . 0.0 110.802 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.09 171.66 14.29 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 tt -138.37 140.68 39.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.224 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.7 p -85.93 161.49 19.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.369 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.5 m -62.1 -35.89 80.06 Favored 'General case' 0 CA--C 1.496 -1.097 0 C-N-CA 123.737 0.815 . . . . 0.0 109.725 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -67.34 -39.26 85.76 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 123.29 0.636 . . . . 0.0 110.343 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.21 79.64 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.504 0.503 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.0 mtt -62.27 -41.86 98.83 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.401 0.438 . . . . 0.0 109.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.78 -39.77 97.22 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.44 -44.92 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.3 mmm -64.4 -39.58 94.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.081 179.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -62.89 -43.23 99.36 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.28 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -61.79 -42.14 98.62 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.364 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -62.26 -42.77 99.62 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.932 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.11 -43.54 97.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.772 -179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -61.93 -42.79 99.5 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.037 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -65.23 -45.27 85.33 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.383 0.427 . . . . 0.0 111.48 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.05 -41.84 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.907 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -56.32 -46.36 79.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -65.41 -42.79 92.16 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.288 0.368 . . . . 0.0 111.885 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -63.62 -44.35 94.2 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.277 0.361 . . . . 0.0 111.562 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 89.4 mt -65.36 -43.68 94.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 O-C-N 123.282 0.364 . . . . 0.0 110.128 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.86 98.15 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.248 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.48 -43.53 86.45 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.5 tp10 -67.59 -40.66 84.81 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 110.483 -0.192 . . . . 0.0 110.483 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.76 89.5 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 123.474 0.484 . . . . 0.0 110.476 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.9 p -60.48 -42.78 96.96 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.574 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -60.59 -40.21 90.95 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.353 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.8 mt -62.97 -37.72 88.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.54 179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.58 -40.52 95.04 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.321 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -62.6 -43.0 99.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -66.83 -38.94 87.4 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -89.89 6.13 43.27 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 54.82 29.2 11.49 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.875 0.369 . . . . 0.0 111.337 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -92.45 132.21 36.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.414 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 m -97.84 -7.19 30.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.938 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.0 m -123.85 128.63 49.78 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.662 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.492 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 97.5 mt -80.21 136.31 23.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.5 p -136.02 176.57 8.57 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.895 0.747 . . . . 0.0 111.535 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.3 p -59.45 -44.88 92.88 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.876 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -62.69 -38.24 89.61 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.175 0.297 . . . . 0.0 110.891 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.492 ' OE2' ' HA ' ' A' ' 65' ' ' ILE . 43.6 tt0 -65.12 -46.89 79.13 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.114 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.3 mt -64.48 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.589 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -54.15 -42.71 69.87 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.218 0.324 . . . . 0.0 110.808 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.4 m -64.2 -47.08 81.11 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.336 0.397 . . . . 0.0 110.763 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.29 91.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.045 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.43 -43.14 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.369 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -59.93 -39.33 85.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 123.252 0.345 . . . . 0.0 111.261 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.7 mt -74.16 -33.09 63.39 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.0 mt -82.19 -37.71 25.69 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.87 150.34 47.71 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.72 163.82 17.66 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.351 2.034 . . . . 0.0 111.289 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.85 -46.59 93.34 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.983 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -65.49 -48.03 74.0 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.08 -38.84 86.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.629 -179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.37 -37.97 85.3 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.18 -48.47 80.2 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.166 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 78.1 m80 -71.53 -37.28 71.18 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 123.267 0.354 . . . . 0.0 111.406 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.41 79.81 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.299 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 68.9 t -61.89 -42.76 95.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 123.332 0.395 . . . . 0.0 110.334 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t -56.48 -44.15 80.35 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 124.564 1.146 . . . . 0.0 108.946 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -70.96 -46.55 62.18 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.077 1.351 . . . . 0.0 111.744 -174.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.64 -43.23 68.89 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.016 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 m -63.88 -47.66 79.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.442 0.163 . . . . 0.0 110.839 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.77 -36.56 82.7 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.155 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.99 83.69 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 82.6 t -69.19 -41.99 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.9 m -61.27 -40.87 95.7 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -59.23 -37.54 77.79 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.287 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -59.81 -48.25 82.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.4 m -68.49 -36.81 79.46 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.6 t -54.51 -33.97 60.85 Favored 'General case' 0 CA--C 1.492 -1.268 0 C-N-CA 125.391 1.476 . . . . 0.0 108.872 -176.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -87.74 117.76 26.79 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.995 0.918 . . . . 0.0 110.903 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.54 83.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.569 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.0 t -149.82 145.34 26.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.486 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -148.41 -176.06 5.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.457 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -99.89 -45.15 5.8 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.8 p -127.96 163.12 25.19 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -66.28 -39.59 89.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.298 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.2 m -61.4 -42.07 98.13 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.9 p -63.4 -36.68 84.53 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -61.61 -36.47 80.8 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.8 -56.95 3.66 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.24 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 109.57 25.47 5.46 Favored Glycine 0 CA--C 1.535 1.282 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.3 mp -105.89 138.99 41.14 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.556 0.217 . . . . 0.0 110.696 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.97 -41.08 95.77 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -62.82 132.25 94.74 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.675 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.3 105.2 0.16 Allowed 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.161 1.907 . . . . 0.0 112.236 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.4 t -65.84 -42.79 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.353 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.57 -40.88 79.98 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.15 -36.85 85.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.346 0.117 . . . . 0.0 111.063 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.72 -44.37 98.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.966 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -60.1 -46.43 89.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.778 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -66.95 -38.49 86.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.043 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 27.0 mt -62.57 -40.52 97.1 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.2 -44.62 97.0 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.364 0.415 . . . . 0.0 110.531 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -65.5 -38.91 91.08 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.717 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.32 -41.21 98.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.282 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.74 -6.6 30.81 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 121.358 -0.448 . . . . 0.0 112.002 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 56.2 28.78 13.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.85 0.325 . . . . 0.0 111.465 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -64.41 -40.23 95.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.217 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.6 p -145.98 159.19 43.6 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.559 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -65.67 -36.17 82.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.734 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -131.2 150.31 52.2 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.987 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.1 t -127.73 133.17 68.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -85.49 -178.49 50.51 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -94.95 -37.64 11.07 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.463 -0.368 . . . . 0.0 110.771 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.74 -19.3 73.1 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.861 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -75.33 -58.6 1.45 Allowed Pre-proline 0 CA--C 1.54 0.586 0 CA-C-O 118.914 -0.565 . . . . 0.0 109.996 -179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -55.2 -38.12 93.84 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 121.755 1.637 . . . . 0.0 111.037 178.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 95.0 t -64.31 -47.47 89.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -61.37 -44.46 97.13 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.866 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 47.4 tp -62.73 -42.17 99.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.302 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.2 79.71 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.47 89.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.019 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 92.4 t -62.47 -46.21 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.983 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.71 -38.94 93.0 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -60.25 -45.69 92.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.329 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 66.2 t80 -61.12 -45.83 93.08 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.415 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.0 -43.5 98.7 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.409 0.443 . . . . 0.0 110.839 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.3 m -63.27 -44.97 93.59 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.442 0.464 . . . . 0.0 110.628 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.3 95.41 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.549 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -66.83 -42.72 85.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.556 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.17 -42.59 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.0 mt -62.36 -41.2 98.43 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.449 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -46.19 79.04 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.125 0.266 . . . . 0.0 110.544 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.55 -39.01 91.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.397 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.73 -38.15 89.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.383 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.96 -40.56 99.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -61.92 -44.23 97.2 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.771 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.48 90.63 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.106 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.56 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.241 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -62.11 -37.6 85.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.197 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -64.69 -21.83 66.83 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -102.48 13.92 33.3 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.526 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 55.52 39.99 31.11 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.975 0.417 . . . . 0.0 111.186 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -133.63 138.11 45.76 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.736 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 16.5 p -90.17 -29.2 18.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.234 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -81.36 136.57 35.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.535 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 70.7 mt -89.1 130.06 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 22.4 pt -123.91 164.92 26.27 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.007 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.82 -35.88 50.2 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.259 1.973 . . . . 0.0 112.125 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.4 -42.3 98.51 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -65.25 -40.93 94.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.734 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.47 -42.49 98.85 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -64.14 -43.21 95.92 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.315 0.385 . . . . 0.0 110.44 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.75 -41.52 99.24 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.33 97.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.46 -44.5 97.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 123.314 0.384 . . . . 0.0 110.253 -179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -70.26 -29.19 65.91 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.429 0.456 . . . . 0.0 111.49 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -76.78 -16.77 59.37 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.151 0.282 . . . . 0.0 111.508 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -110.24 115.58 29.95 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -61.56 -39.93 92.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.491 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -62.16 -47.51 84.2 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 123.322 0.389 . . . . 0.0 111.448 -179.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 25.0 mt -63.83 -37.23 86.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.401 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -59.06 -38.88 80.44 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.201 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -62.52 -45.35 93.4 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.27 0.356 . . . . 0.0 110.232 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 33.0 tp -66.87 -39.48 87.53 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 123.489 0.493 . . . . 0.0 110.519 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 65.1 mt -97.23 19.07 13.66 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.91 -36.67 88.73 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 -100.37 11.84 38.52 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 64.7 t -126.46 131.12 71.7 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 47.8 m -122.52 131.41 53.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.461 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.67 131.11 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -54.57 -46.68 73.75 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.529 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -112.35 127.48 56.01 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.982 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.971 -1.46 . . . . 0.0 111.211 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -116.38 139.79 50.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.309 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 42.1 pt -134.38 159.89 41.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.953 178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -113.03 140.45 47.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.97 127.99 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -113.61 150.66 32.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.289 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 78.4 p -116.46 164.36 14.68 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.719 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.42 -23.57 64.65 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.8 p -70.51 -23.2 62.61 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 121.042 -1.036 . . . . 0.0 111.527 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.31 15.04 20.67 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 113.209 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -92.48 130.17 38.21 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 117.167 0.483 . . . . 0.0 110.227 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.3 m -114.56 124.12 51.07 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.924 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.1 pt -127.55 133.88 66.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.815 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -88.65 133.6 34.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 121.505 0.669 . . . . 0.0 109.332 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 tp -130.66 132.82 45.65 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.38 0.672 . . . . 0.0 110.554 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -107.41 114.65 28.81 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.432 0.457 . . . . 0.0 110.113 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.1 m -140.48 164.83 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.191 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -97.92 156.76 35.6 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.242 0.338 . . . . 0.0 110.311 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.89 -25.97 74.41 Favored 'Trans proline' 0 N--CA 1.502 1.971 0 C-N-CA 122.326 2.017 . . . . 0.0 112.365 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.3 m -85.12 -8.94 58.41 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.142 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -67.66 143.9 55.76 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.575 0.226 . . . . 0.0 110.587 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.6 p -81.46 158.25 24.62 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.935 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mm -65.24 -41.63 92.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.864 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.3 -41.22 72.04 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.276 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -63.47 -39.77 95.34 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.34 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 65.5 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.477 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.7 -35.34 74.29 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.73 89.37 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -63.61 -37.98 89.4 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.47 -42.8 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.636 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -55.44 -38.36 68.92 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.38 -42.11 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.389 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -78.6 -43.7 25.78 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -178.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -86.87 -39.72 15.56 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 125.891 1.677 . . . . 0.0 113.862 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.81 23.71 41.1 Favored Glycine 0 C--N 1.351 1.384 0 C-N-CA 124.49 1.043 . . . . 0.0 111.853 -170.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.0 mt -104.92 137.13 19.12 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.05 135.3 58.05 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 121.972 1.781 . . . . 0.0 112.222 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.38 -25.68 74.24 Favored 'Trans proline' 0 N--CA 1.504 2.096 0 C-N-CA 122.257 1.971 . . . . 0.0 112.614 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -64.99 -34.26 78.01 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-O 122.714 1.245 . . . . 0.0 108.399 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -97.27 12.23 33.71 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.584 -1.947 . . . . 0.0 111.522 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -116.69 131.04 57.05 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -113.35 128.43 56.46 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 76.1 mt -105.1 140.79 37.75 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 97.8 mt -132.0 141.59 45.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.5 -178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -121.83 123.19 41.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.043 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.74 29.73 10.02 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.804 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.74 15.32 75.82 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 116.493 -0.321 . . . . 0.0 112.317 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -109.67 134.15 52.3 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 117.059 0.43 . . . . 0.0 110.195 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.18 139.93 58.46 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -110.13 125.68 53.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -80.87 136.73 36.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.044 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -63.91 -39.42 94.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.779 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.56 -10.72 84.68 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.994 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -95.16 160.49 14.53 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 117.212 0.506 . . . . 0.0 110.786 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -101.05 169.71 8.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.594 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.77 -40.27 94.59 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.413 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -58.43 -32.35 68.61 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.663 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -62.21 -34.29 76.19 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.037 0.21 . . . . 0.0 111.064 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -91.61 13.89 16.65 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.271 0.357 . . . . 0.0 111.9 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 59.38 43.72 16.14 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.006 0.431 . . . . 0.0 111.221 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.71 129.55 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -117.57 -171.51 2.06 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.892 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -55.41 145.2 23.1 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.275 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 55.91 83.21 0.1 Allowed 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.492 0.495 . . . . 0.0 110.46 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.3 m -129.56 152.32 49.21 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.273 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.3 m -109.7 121.16 44.58 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.257 0.348 . . . . 0.0 110.529 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.2 mt -115.35 132.24 56.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.171 179.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -91.99 152.43 20.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.943 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 tp -110.61 130.65 55.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.18 0.514 . . . . 0.0 111.784 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 16.2 t -137.07 165.42 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.609 178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 2.2 mp -107.21 119.09 38.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.666 0.27 . . . . 0.0 111.188 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -85.22 134.33 34.15 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 64.8 mt -122.24 64.43 0.94 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.04 0.447 . . . . 0.0 111.02 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -64.77 -42.93 94.72 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.82 -43.3 0.87 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.623 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.894 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -116.53 142.44 46.88 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.667 0.27 . . . . 0.0 110.585 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.61 -39.76 91.89 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.34 117.08 8.52 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.87 -18.86 47.07 Favored 'Trans proline' 0 N--CA 1.504 2.125 0 C-N-CA 122.33 2.02 . . . . 0.0 112.877 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.49 -41.15 91.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.23 -43.66 95.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.926 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -63.38 -41.83 98.81 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.386 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.54 -37.81 85.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.608 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 72.3 mtm -67.1 -35.48 79.87 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 123.443 0.465 . . . . 0.0 110.677 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.29 -45.79 92.99 Favored 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.222 0.326 . . . . 0.0 110.728 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -63.81 -44.81 92.17 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 123.352 0.408 . . . . 0.0 110.945 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.33 -38.07 89.03 Favored 'General case' 0 C--N 1.335 -0.054 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.996 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.41 -36.59 84.23 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.438 0.461 . . . . 0.0 110.755 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -62.27 -44.71 95.9 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.649 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -74.56 -40.2 61.8 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.31 0.382 . . . . 0.0 111.07 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -64.56 -45.12 88.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.309 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -66.47 -34.27 77.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -59.6 -44.6 93.35 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.91 -41.67 86.72 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.027 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -64.5 -37.11 86.4 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.451 0.47 . . . . 0.0 111.355 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.79 -46.23 86.11 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -65.79 -42.88 90.21 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -60.6 -37.69 82.23 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.272 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 20.0 tp -61.42 -38.55 87.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.706 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.45 -43.97 97.54 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 123.527 0.517 . . . . 0.0 109.751 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 64.0 mt -66.13 -41.96 89.77 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -60.49 -43.48 96.94 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.72 -43.87 68.03 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.344 0.403 . . . . 0.0 111.805 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 67.4 mtm -63.99 -43.08 96.77 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.105 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -63.69 -41.3 98.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.537 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.35 -35.05 79.8 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.456 0.473 . . . . 0.0 110.628 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.96 -40.09 95.63 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.4 -35.26 80.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.436 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -60.99 -46.92 88.8 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -135.86 139.31 43.29 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 17.4 m -58.77 -44.61 90.7 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.351 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 31.4 m -116.83 129.97 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.219 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 62.5 m -152.88 123.98 7.51 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -137.92 144.55 41.32 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.426 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -125.48 140.38 52.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.541 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.53 -39.82 94.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.476 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 108.01 -26.81 16.1 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 64.7 p -130.02 100.59 5.49 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 54.1 t -123.91 128.52 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.8 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -102.9 107.87 18.85 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -66.13 -44.83 83.09 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -97.95 132.96 43.06 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.442 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 61.4 mt -96.99 148.36 23.05 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.954 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 67.8 mt -114.34 126.05 54.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.996 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -65.38 -21.1 66.64 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.981 179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 15.4 t -60.44 -44.37 95.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.624 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 47.6 m -80.96 110.86 16.9 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -62.64 -42.14 99.43 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 88.4 mmm -107.26 94.89 5.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.386 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -118.57 -58.63 1.95 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.776 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -102.85 170.32 19.87 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -119.78 135.56 54.8 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.749 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 . . . . . 0 N--CA 1.495 1.818 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -68.39 130.44 42.88 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.615 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -96.13 143.4 27.29 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.927 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 t -88.13 93.45 9.5 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.975 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -107.07 13.8 27.06 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.149 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.1 m -57.42 -41.69 80.91 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.492 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.0 mt -68.38 -42.74 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.53 -43.87 95.87 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.91 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -64.18 -36.62 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -55.99 -44.52 78.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.977 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.23 -39.81 95.68 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.508 0.505 . . . . 0.0 110.111 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.02 -42.59 93.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.03 -36.91 78.31 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.66 -178.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.28 -40.04 93.36 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.659 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.85 -36.77 64.91 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.987 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 p -79.33 -30.78 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.723 -178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.89 91.27 0.3 Allowed Pre-proline 0 CA--C 1.552 1.029 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.575 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.11 -35.9 99.04 Favored 'Trans proline' 0 N--CA 1.505 2.168 0 C-N-CA 122.558 2.172 . . . . 0.0 113.077 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -60.0 -50.96 71.69 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.1 p -75.79 134.85 40.31 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.202 0.314 . . . . 0.0 110.705 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.03 -178.04 22.13 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.2 141.9 32.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 120.643 0.259 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 p -81.94 160.36 23.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.419 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -62.99 -38.36 90.83 Favored 'General case' 0 CA--C 1.5 -0.979 0 C-N-CA 124.752 1.221 . . . . 0.0 109.566 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.71 -42.04 87.02 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.843 0.857 . . . . 0.0 110.149 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.11 -37.09 86.21 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.721 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 mtp -62.62 -40.7 97.8 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.48 95.95 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.93 -43.45 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.7 mmm -62.24 -37.86 87.04 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.302 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -60.71 -42.04 96.46 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.421 0.451 . . . . 0.0 110.095 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.4 t -65.25 -39.41 92.64 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 t80 -61.38 -44.07 97.79 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.941 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.72 -44.83 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -62.96 -40.64 98.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.175 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.9 -41.66 99.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.533 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.8 mm -63.84 -42.21 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.956 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -57.59 -45.16 85.62 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.81 -45.43 92.64 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 -65.07 -46.91 79.24 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.41 -43.32 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.26 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.83 87.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.396 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.73 -46.76 88.86 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -65.96 -41.06 91.69 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.12 96.06 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.42 0.45 . . . . 0.0 110.558 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.3 m -61.82 -42.06 98.56 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.84 -41.87 99.51 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.49 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.81 -41.46 95.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.718 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.55 85.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -65.53 -41.39 93.13 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -58.9 -41.34 86.97 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.383 0.427 . . . . 0.0 110.002 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -85.03 6.85 23.6 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 53.59 31.66 12.92 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.09 133.48 45.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.1 m -88.1 -15.6 35.76 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.53 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 m -109.61 125.26 52.38 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-O 120.644 0.259 . . . . 0.0 110.768 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 94.6 mt -88.79 134.16 29.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 81.0 p -127.56 175.95 7.86 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.999 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.5 p -57.81 -32.79 67.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.975 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -60.43 -45.37 93.88 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.149 0.281 . . . . 0.0 111.463 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -66.11 -41.94 89.9 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.255 0.347 . . . . 0.0 110.624 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.63 -42.58 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.202 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -56.27 -44.13 79.43 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.148 0.28 . . . . 0.0 111.362 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.7 m -63.43 -45.48 90.71 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.4 91.74 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.102 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.27 -45.39 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.642 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.11 -38.15 90.03 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.245 0.341 . . . . 0.0 111.549 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.62 -32.22 67.74 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.9 mt -86.66 -37.07 18.35 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mp -88.83 151.52 47.55 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.22 157.24 26.49 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.355 2.037 . . . . 0.0 111.33 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.33 -44.04 65.39 Favored Glycine 0 CA--C 1.534 1.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.868 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.92 -47.11 69.67 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.949 0.375 . . . . 0.0 111.84 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.54 -39.59 94.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.524 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.58 -38.54 84.94 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.315 0.384 . . . . 0.0 111.77 -179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -60.5 -46.61 89.5 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.215 0.322 . . . . 0.0 111.003 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' CB ' ' CZ ' ' A' ' 146' ' ' TYR . 92.2 m-70 -67.76 -37.4 82.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.423 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.92 92.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.4 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.8 t -61.84 -43.57 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 123.331 0.394 . . . . 0.0 110.291 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -62.8 -47.06 85.09 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 124.13 0.972 . . . . 0.0 110.261 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.78 -44.98 84.14 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 123.599 0.76 . . . . 0.0 111.442 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.63 -39.26 97.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.4 m -61.02 -42.25 98.1 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 110.491 -0.188 . . . . 0.0 110.491 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -59.95 -41.07 91.06 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 123.432 0.458 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -62.57 -43.35 99.02 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.3 0.375 . . . . 0.0 110.935 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.16 -45.03 87.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.027 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.1 p -64.11 -41.87 97.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.998 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.85 -36.5 83.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.137 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -58.37 -48.17 81.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 m -70.7 -39.68 73.31 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.477 0.485 . . . . 0.0 110.952 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.4 m -64.89 -50.62 65.85 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 120.497 -1.377 . . . . 0.0 111.381 -177.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.5 m -68.41 142.46 55.39 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 120.701 0.286 . . . . 0.0 110.895 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.97 166.31 4.72 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.497 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.8 p -62.77 102.17 0.32 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.559 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.26 165.32 13.17 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.471 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -82.18 -12.92 57.85 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.26 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 29.9 m -115.72 130.73 56.96 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.53 -43.11 95.07 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.363 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.4 m -62.28 -38.59 89.91 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.6 m -61.5 -38.97 89.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -64.04 -36.55 84.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.01 -23.43 25.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.658 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.41 24.86 75.94 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.2 mt -95.23 139.42 31.58 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.03 -45.95 91.3 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.6 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -64.48 141.92 98.31 Favored Pre-proline 0 CA--C 1.546 0.807 0 O-C-N 123.528 0.518 . . . . 0.0 110.785 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.78 105.5 0.54 Allowed 'Trans proline' 0 N--CA 1.503 2.039 0 C-N-CA 122.335 2.024 . . . . 0.0 111.943 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.7 -42.56 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.606 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.86 -41.54 91.4 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -64.35 -38.18 90.14 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.36 0.124 . . . . 0.0 111.162 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -61.01 -43.83 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.66 -45.03 90.27 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.379 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.49 -39.87 94.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 62.8 mt -60.59 -42.18 96.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.318 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.79 -44.58 96.6 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.183 0.302 . . . . 0.0 110.755 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -67.61 -40.87 84.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.99 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.69 -40.21 96.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.685 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.26 -5.3 20.62 Favored Glycine 0 CA--C 1.541 1.689 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 20.0 m120 57.05 31.02 19.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 117.012 0.406 . . . . 0.0 111.414 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -64.27 -41.88 96.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.517 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 18.5 m -147.77 165.17 31.35 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.618 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -64.92 -39.58 93.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -135.33 148.24 49.4 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.455 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.73 136.93 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -82.64 177.46 53.45 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.664 -0.575 . . . . 0.0 111.664 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -92.49 -40.24 10.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.481 -0.359 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -66.18 -34.2 87.47 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.747 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.14 -59.94 12.19 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.321 -179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -55.34 -36.31 93.48 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.827 1.685 . . . . 0.0 111.412 178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 90.7 t -62.03 -45.15 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -62.71 -46.7 86.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.106 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 34.4 tp -61.63 -40.95 96.68 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.521 -179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.13 -40.59 90.32 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.417 0.448 . . . . 0.0 110.998 -179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.88 89.32 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.34 0.4 . . . . 0.0 111.251 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 81.3 t -64.39 -42.98 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.126 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.39 -40.31 96.07 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.432 0.457 . . . . 0.0 111.001 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -61.48 -42.05 98.19 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.464 0.477 . . . . 0.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.408 ' CZ ' ' CB ' ' A' ' 85' ' ' HIS . 58.4 t80 -61.72 -46.15 90.89 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.01 -41.45 96.56 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.401 0.438 . . . . 0.0 110.836 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.2 m -63.27 -44.6 94.65 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.46 0.475 . . . . 0.0 110.712 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.14 93.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.708 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.38 -43.0 95.85 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.238 0.337 . . . . 0.0 111.671 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.8 mt -66.32 -42.57 90.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 O-C-N 123.272 0.358 . . . . 0.0 110.149 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.4 -40.8 95.7 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -66.44 -44.35 83.09 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.134 0.271 . . . . 0.0 110.619 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.19 -41.8 99.23 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.299 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.55 81.55 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.389 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.41 99.09 Favored Glycine 0 C--N 1.338 0.69 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -62.21 -45.02 95.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.01 85.48 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.96 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -56.96 -48.41 78.42 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.918 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -63.85 -37.94 89.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.967 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -66.04 -32.92 74.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -89.71 14.0 12.86 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.607 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 56.02 27.59 11.52 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.828 0.347 . . . . 0.0 111.2 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -132.28 105.46 7.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.788 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 6.9 m -61.72 -44.38 97.04 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -61.67 132.65 53.93 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.365 0.416 . . . . 0.0 109.946 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 66.3 mt -85.65 137.36 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.907 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 25.9 pt -139.25 166.48 24.33 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.145 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -50.07 -34.4 38.3 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.343 2.028 . . . . 0.0 112.2 -179.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -63.02 -39.84 95.95 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -67.06 -41.18 86.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.417 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.35 -42.43 98.68 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -60.1 -44.45 94.82 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.278 0.361 . . . . 0.0 110.555 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.38 -41.77 93.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.234 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -65.37 -45.66 83.2 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.813 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 35.7 mm -64.15 -44.81 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.77 -179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -73.1 -24.63 60.66 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -77.48 -16.73 58.58 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.154 0.284 . . . . 0.0 111.546 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -109.92 115.1 29.18 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.81 -39.91 90.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.229 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -60.67 -46.3 90.85 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.307 0.38 . . . . 0.0 111.531 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 40.9 mt -64.22 -37.53 87.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.145 0.278 . . . . 0.0 110.347 179.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.18 -39.43 92.66 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.955 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.99 -43.23 99.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.747 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 38.0 tp -62.33 -39.9 94.59 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 65.9 mt -88.19 -11.65 46.15 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.181 -178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 61.41 -77.36 0.02 OUTLIER Glycine 0 C--N 1.343 0.958 0 N-CA-C 111.481 -0.647 . . . . 0.0 111.481 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -149.59 64.52 1.0 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.926 0.393 . . . . 0.0 111.365 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 98.6 t -118.66 129.18 75.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 24.3 m -97.18 123.9 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.423 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.35 -47.24 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.999 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -150.54 133.5 16.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.637 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -69.15 -38.89 79.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.108 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.958 -179.828 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -103.89 131.01 51.53 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.123 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.4 pt -130.33 159.53 42.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.109 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -113.84 135.78 53.59 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.1 t -117.38 124.8 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -116.68 150.64 37.84 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.144 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.7 p -122.72 162.87 21.19 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.437 -179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.61 -21.68 65.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.5 p -70.31 -22.44 62.83 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 119.675 -1.891 . . . . 0.0 111.365 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.66 15.24 27.52 Favored Glycine 0 C--N 1.356 1.692 0 O-C-N 121.197 -0.94 . . . . 0.0 112.535 -173.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -94.07 125.19 38.55 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 117.086 0.443 . . . . 0.0 110.049 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.9 m -110.98 124.26 51.8 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.943 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.6 pt -122.28 136.62 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.797 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -88.85 132.14 34.79 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -139.58 142.13 37.15 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.234 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -111.92 120.97 43.71 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.469 0.481 . . . . 0.0 110.228 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.39 164.33 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -103.84 147.95 35.07 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.602 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.66 -40.78 64.03 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.372 2.048 . . . . 0.0 112.42 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -79.24 -6.37 56.47 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.267 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -65.01 136.68 57.07 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.4 p -78.05 157.64 29.49 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.109 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.7 mm -65.36 -41.76 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.897 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -53.55 -42.88 67.95 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -65.04 -40.11 94.31 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.273 0.358 . . . . 0.0 110.321 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.92 -46.05 97.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.682 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -59.3 -37.03 76.7 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.71 84.09 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.386 0.429 . . . . 0.0 110.037 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.92 -38.87 92.68 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.65 -43.84 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -57.63 -36.37 71.73 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.113 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.38 -35.93 81.57 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.396 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -91.0 -32.79 15.79 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -101.24 -39.67 7.52 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 175.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.56 21.86 46.03 Favored Glycine 0 C--N 1.359 1.841 0 C-N-CA 125.333 1.444 . . . . 0.0 111.405 -168.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -88.16 129.98 47.82 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.307 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -58.26 123.61 14.02 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.93 1.753 . . . . 0.0 111.601 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -51.5 -38.93 65.18 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.242 1.961 . . . . 0.0 112.515 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -66.53 -37.26 84.62 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 117.391 -1.724 . . . . 0.0 108.537 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -84.45 9.29 13.76 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 122.024 -0.423 . . . . 0.0 111.77 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -125.74 141.62 51.92 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.641 0.258 . . . . 0.0 111.202 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -115.67 133.01 56.46 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.99 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.9 mt -104.59 134.23 48.11 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 94.8 mt -124.89 137.95 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.691 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -123.62 126.2 46.19 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.27 29.01 14.16 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.464 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.97 15.68 80.22 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -112.08 134.67 53.49 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 117.136 0.468 . . . . 0.0 110.336 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -61.62 149.42 39.35 Favored 'General case' 0 CA--C 1.515 -0.392 0 O-C-N 123.465 0.478 . . . . 0.0 110.195 179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 85.3 mt -117.65 130.32 56.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.954 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -85.27 141.71 29.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.1 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.98 -39.75 93.93 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.919 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.6 9.97 26.33 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 116.037 -0.529 . . . . 0.0 113.351 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -112.09 165.05 12.48 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 117.257 0.528 . . . . 0.0 110.773 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 31.3 p -106.13 164.75 11.74 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.14 -40.78 98.55 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.577 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -61.67 -29.51 70.12 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.637 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -64.38 -25.14 67.9 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.186 0.304 . . . . 0.0 111.309 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -96.84 12.09 33.41 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 57.01 44.09 23.41 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.043 0.449 . . . . 0.0 111.211 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.31 127.75 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -101.3 -179.45 4.04 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.836 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.15 146.02 40.37 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 52.7 84.14 0.06 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.4 m -129.51 149.39 51.3 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.8 m -98.65 124.67 43.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.717 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -116.64 126.31 53.04 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.189 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -91.55 142.86 27.19 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.954 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 24.9 tp -110.42 130.87 55.46 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.287 0.565 . . . . 0.0 111.746 -177.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 19.4 t -126.85 165.01 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.47 178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 10.6 tp -113.45 115.63 28.35 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.58 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -79.76 135.59 36.54 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 60.0 mt -102.98 61.67 0.79 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.951 0.405 . . . . 0.0 111.215 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -132.45 144.84 50.76 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.432 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.44 164.06 34.43 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.894 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -110.15 92.44 4.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.762 0.315 . . . . 0.0 110.814 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 59.2 mtt -136.03 147.85 48.11 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.573 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -145.31 83.09 9.33 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.386 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -70.87 -13.18 31.72 Favored 'Trans proline' 0 N--CA 1.502 1.971 0 C-N-CA 122.205 1.936 . . . . 0.0 112.782 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.2 t -63.3 -42.31 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 57.9 mt -60.28 -43.23 96.42 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.161 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 97.2 mtt-85 -68.13 -38.77 82.56 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.105 0.253 . . . . 0.0 110.755 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -68.07 -39.43 82.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.336 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.16 -39.78 94.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.943 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.23 -43.7 90.6 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.322 0.389 . . . . 0.0 110.783 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -66.32 -42.37 88.33 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.44 -41.35 93.57 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.392 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.95 -43.12 99.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.273 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -65.7 -42.55 91.02 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.263 0.352 . . . . 0.0 110.689 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -69.27 -31.99 70.87 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.896 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -62.4 -45.71 91.88 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.108 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.22 -35.21 79.12 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.484 0.49 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -60.04 -46.54 89.19 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.17 -35.65 81.75 Favored 'General case' 0 C--O 1.228 -0.049 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.398 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -63.96 -36.26 83.37 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 123.417 0.448 . . . . 0.0 110.803 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -65.32 -46.04 81.88 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.313 0.383 . . . . 0.0 110.108 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.68 -42.71 81.65 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.043 0.449 . . . . 0.0 109.857 178.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -63.07 -38.99 93.38 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.387 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.11 -37.99 87.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.734 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -61.99 -42.46 99.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 123.61 0.569 . . . . 0.0 109.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 77.2 mt -64.72 -42.19 95.41 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 123.413 0.445 . . . . 0.0 110.437 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -59.94 -43.8 94.75 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.076 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -71.59 -42.05 68.22 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.798 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 60.1 mtm -62.54 -46.19 89.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.745 -178.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -61.87 -41.47 97.9 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.582 0.551 . . . . 0.0 110.461 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.95 -34.88 78.73 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.391 0.432 . . . . 0.0 110.617 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.2 -38.64 91.79 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -53.54 -38.73 64.09 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.678 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -60.85 -34.97 75.4 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.295 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 56.75 57.1 4.96 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.977 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 6.0 t -142.65 157.83 44.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.383 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.57 -45.41 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.072 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 20.6 m -66.53 145.87 55.15 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -143.74 152.61 41.49 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.372 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 28.3 tpt85 -58.98 -44.29 91.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.7 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -94.12 143.44 26.37 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -162.47 -80.57 0.04 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 89.8 p -155.02 170.01 22.78 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.536 0.208 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 80.9 t -111.77 132.7 59.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.819 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -125.64 122.7 37.17 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.879 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.59 178.2 0.45 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.27 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -68.6 146.98 52.57 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.373 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 69.1 mt -71.71 131.0 42.5 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.763 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 78.0 mt -139.17 136.2 34.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.383 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -64.06 -38.48 91.21 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.695 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 77.5 p -62.38 -36.4 82.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 11.6 t -58.12 -50.66 72.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.691 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 64.4 t30 50.49 30.27 4.57 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.296 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 77.3 mtm -97.17 135.74 38.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.282 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -64.65 140.23 58.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.592 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -101.66 151.75 18.62 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.5 72.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.531 0.205 . . . . 0.0 110.607 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 74.8 tttt . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.504 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.06 -41.92 98.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.654 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -117.59 111.01 18.62 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.166 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -82.83 131.96 35.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.27 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -118.26 28.2 8.51 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.293 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.1 m -57.07 -40.16 76.35 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.66 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.0 mt -65.45 -43.17 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.796 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -67.14 -44.69 79.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.071 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.77 -35.63 75.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -44.07 76.76 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.31 -41.99 98.99 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.539 0.524 . . . . 0.0 110.123 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.64 -42.85 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.59 -37.29 80.89 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.849 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.76 -39.77 91.37 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -36.59 71.39 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.983 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -78.14 -31.89 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.525 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -178.25 91.27 0.23 Allowed Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.384 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -54.96 -36.73 93.0 Favored 'Trans proline' 0 N--CA 1.505 2.176 0 C-N-CA 122.567 2.178 . . . . 0.0 112.946 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.81 -44.86 96.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.019 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -67.65 137.4 55.56 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.252 0.345 . . . . 0.0 110.871 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.44 168.37 12.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 tt -137.66 144.6 30.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.715 0.293 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 m -74.47 146.67 42.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.257 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.1 p -63.5 -36.35 83.48 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.752 0.421 . . . . 0.0 110.355 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -67.59 -43.45 80.5 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.166 0.586 . . . . 0.0 110.321 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.67 88.43 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttm -63.77 -42.04 97.85 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.98 -38.03 93.58 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.04 -41.67 93.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.3 mmm -61.33 -37.98 85.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.157 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -61.35 -40.2 93.39 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 t -62.87 -38.5 91.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.171 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -60.82 -44.1 97.35 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.518 179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.8 t -59.77 -44.41 93.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.09 -41.4 97.31 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.419 0.449 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.44 -42.78 98.69 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.34 0.4 . . . . 0.0 111.463 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.2 mm -63.74 -41.19 91.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -56.51 -45.68 80.92 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 -179.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -64.91 -43.21 93.56 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.296 0.372 . . . . 0.0 111.902 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -64.14 -46.62 83.28 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 91.9 mt -64.93 -43.42 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.037 -179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.86 84.5 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.431 0.457 . . . . 0.0 111.351 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.97 -46.37 81.85 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.73 -42.46 95.19 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 110.526 -0.175 . . . . 0.0 110.526 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.13 93.67 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -61.46 -40.82 95.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -59.35 -43.31 92.82 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.373 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.99 -40.32 97.4 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.58 91.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.376 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -62.49 -39.57 93.9 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.26 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -63.16 -41.45 99.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.29 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -91.91 3.47 55.11 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.18 -0.463 . . . . 0.0 112.191 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.0 mttp 54.18 35.99 23.85 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.897 0.379 . . . . 0.0 111.394 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -93.32 136.18 33.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.1 m -88.72 -26.5 21.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.491 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.7 m -106.46 129.31 54.45 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.6 mt -92.87 134.75 29.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.3 p -129.07 177.01 7.44 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.012 -179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.9 p -56.2 -32.49 64.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.962 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -59.71 -44.63 93.62 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.3 mp0 -66.55 -40.92 89.29 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.215 0.322 . . . . 0.0 110.623 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.01 -42.73 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.253 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -56.11 -43.76 78.43 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.233 0.333 . . . . 0.0 110.989 -178.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.5 m -63.57 -43.73 96.16 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.318 0.386 . . . . 0.0 110.231 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.0 93.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.561 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.6 t -61.86 -43.6 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.423 -179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.31 -38.67 91.85 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.265 0.353 . . . . 0.0 111.602 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.1 mt -74.19 -33.07 63.31 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.6 mt -86.46 -35.7 19.5 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.0 mp -103.16 149.62 37.09 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -58.72 164.3 9.77 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 122.375 2.05 . . . . 0.0 111.447 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.48 -46.08 74.37 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-N 116.327 -0.397 . . . . 0.0 112.558 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.43 -46.95 86.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.76 0.28 . . . . 0.0 111.645 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.72 -41.77 95.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.409 -179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -65.29 -40.42 93.83 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.815 -179.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.21 -47.1 87.38 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.125 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -70.11 -36.63 74.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.474 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.11 83.93 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.308 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.6 t -63.45 -43.01 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.563 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.2 m -62.18 -38.48 89.23 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -70.2 -41.71 73.33 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 122.478 0.311 . . . . 0.0 111.241 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.98 -39.74 93.29 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.8 m -60.39 -45.87 92.0 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -59.95 -41.02 90.97 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 123.514 0.509 . . . . 0.0 110.563 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.44 93.32 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.79 -40.95 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.9 m -59.95 -44.03 94.64 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.761 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -61.4 -41.0 96.43 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -61.13 -45.08 96.15 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.0 p -68.91 -37.92 79.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.0 p -74.62 -33.32 62.55 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 119.587 -1.946 . . . . 0.0 110.958 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 88.4 p -66.15 -32.8 74.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 118.178 0.444 . . . . 0.0 111.036 178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 69.84 -66.88 0.25 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.355 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.2 p -142.76 119.04 10.83 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.527 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -118.38 -173.58 2.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.481 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -95.1 -48.27 6.02 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.1 m -109.89 155.64 21.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.669 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -67.45 -43.46 81.04 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.611 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.5 m -63.82 -37.55 87.8 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.946 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.2 p -64.18 -32.89 74.64 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.279 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.41 -35.42 77.48 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.868 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -99.58 -20.99 16.08 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.607 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.68 22.68 76.83 Favored Glycine 0 CA--C 1.533 1.201 0 N-CA-C 111.616 -0.593 . . . . 0.0 111.616 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.6 mt -86.48 139.13 31.18 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.537 0.208 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -61.73 -51.14 69.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -62.59 133.77 94.94 Favored Pre-proline 0 CA--C 1.545 0.75 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.731 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -54.57 108.48 0.3 Allowed 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.14 1.893 . . . . 0.0 111.905 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.6 t -64.35 -43.15 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.24 -41.18 86.25 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.91 -38.28 90.45 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.45 0.125 . . . . 0.0 111.144 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.47 -45.41 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.52 -41.75 98.48 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.322 0.389 . . . . 0.0 110.391 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -66.26 -39.71 89.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.7 -39.82 92.81 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.408 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.45 -43.13 99.41 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.271 0.357 . . . . 0.0 110.841 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -65.52 -41.71 92.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.661 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -62.41 -39.43 93.23 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.26 -4.48 29.93 Favored Glycine 0 CA--C 1.54 1.616 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 66.0 t30 58.01 29.03 17.11 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 116.984 0.392 . . . . 0.0 111.487 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -62.87 -44.45 96.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 82.7 p -152.9 158.79 42.66 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.635 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.63 -39.38 93.61 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -129.89 143.6 50.89 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 50.3 t -125.2 140.1 49.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.24 178.23 51.73 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -95.36 -42.37 8.54 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.719 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.77 90.8 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.719 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -59.76 -60.21 11.33 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 118.963 -0.542 . . . . 0.0 110.473 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo -54.43 -38.07 89.5 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.838 1.692 . . . . 0.0 111.373 178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.8 -45.72 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 49.1 t80 -62.13 -45.42 93.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.115 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 40.5 tp -61.41 -41.65 97.48 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.84 86.99 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.27 88.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.191 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.46 -44.2 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.209 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.32 -39.57 93.47 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -63.25 -38.55 91.62 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.417 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -61.04 -46.51 90.4 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.347 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.4 -40.71 95.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.7 m -62.51 -44.73 95.66 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.379 0.424 . . . . 0.0 110.809 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.92 89.02 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.704 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 41.6 tp10 -68.8 -42.53 77.19 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.282 0.363 . . . . 0.0 111.538 -178.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.69 -43.39 96.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.058 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.83 -40.36 97.19 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.638 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -64.9 -43.48 92.71 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.145 0.278 . . . . 0.0 110.824 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.14 -40.22 95.7 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.67 -37.04 82.6 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.564 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -65.06 -38.89 95.93 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -61.39 -43.7 98.42 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.423 0.154 . . . . 0.0 110.667 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.71 91.05 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.64 87.76 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.161 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -62.49 -39.08 92.32 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.111 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.1 -34.6 76.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.545 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -91.74 10.97 26.15 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.62 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 56.48 46.95 19.73 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.104 0.478 . . . . 0.0 111.105 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -132.89 145.82 51.26 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.717 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 13.9 p -103.03 -1.09 29.83 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.257 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -106.54 145.02 32.38 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 64.3 mt -103.64 129.92 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 26.7 pt -130.86 166.7 25.53 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.052 -179.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -50.71 -34.13 42.84 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.25 1.966 . . . . 0.0 112.06 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -63.51 -40.91 98.29 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -66.17 -41.08 90.81 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.365 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.9 -42.0 98.56 Favored 'General case' 0 C--O 1.232 0.168 0 O-C-N 123.512 0.508 . . . . 0.0 110.72 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -64.3 -43.47 94.64 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.352 0.408 . . . . 0.0 110.346 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.48 -44.54 94.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -65.87 -45.6 81.5 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.277 -179.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.97 -44.11 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.104 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -68.79 -27.1 65.57 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.493 0.496 . . . . 0.0 111.23 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -78.47 -17.08 56.83 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.199 0.312 . . . . 0.0 111.517 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -104.88 117.83 35.02 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -64.25 -39.35 93.77 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.543 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -61.39 -48.08 82.88 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 123.287 0.367 . . . . 0.0 111.361 -179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.3 -37.73 88.05 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.648 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -60.5 -39.36 87.47 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.322 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -64.13 -44.04 93.43 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.531 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.13 -42.8 93.52 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 68.4 mt -102.43 21.75 14.63 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.244 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.57 -40.28 77.83 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -95.39 15.47 19.43 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 84.8 t -126.53 128.62 71.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 10.2 t -110.16 129.32 55.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.414 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 41.2 mm -65.96 -44.75 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.294 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -145.18 153.67 41.6 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.646 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -96.5 146.4 24.83 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.755 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.953 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ttp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -119.64 132.71 55.76 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.061 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 pt -132.9 150.49 32.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.192 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.39 140.7 38.1 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.828 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 49.0 t -123.12 121.68 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -116.55 149.94 38.79 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.356 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 45.5 p -115.31 164.41 14.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.369 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.31 -19.26 61.57 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.35 0.406 . . . . 0.0 110.98 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -69.39 -24.98 63.94 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 119.253 -2.154 . . . . 0.0 111.419 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.45 2.54 33.04 Favored Glycine 0 C--N 1.359 1.809 0 CA-C-N 119.582 1.083 . . . . 0.0 112.652 -175.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -79.86 153.31 29.14 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 117.145 0.473 . . . . 0.0 110.061 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.4 m -131.95 126.07 33.17 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.322 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.8 pt -126.8 134.68 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.452 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.6 t -86.43 138.12 32.02 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mp -128.31 135.39 49.55 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -111.22 112.23 23.87 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.55 0.531 . . . . 0.0 109.961 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.9 m -141.73 169.03 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.088 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.66 157.29 34.92 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 123.256 0.348 . . . . 0.0 110.573 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -53.55 -36.51 80.65 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.409 2.072 . . . . 0.0 112.506 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -79.19 -7.1 57.96 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.382 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.54 140.41 58.55 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.582 0.23 . . . . 0.0 110.595 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 16.6 p -82.55 159.59 22.76 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.016 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -64.99 -42.16 94.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.445 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -55.1 -39.24 69.11 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -63.93 -41.19 97.71 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 123.287 0.367 . . . . 0.0 110.134 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.61 -44.27 98.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.584 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.06 -36.96 73.53 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.7 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.07 86.88 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -62.84 -37.77 88.13 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.62 -41.38 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -57.2 -38.96 74.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.125 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -64.92 -43.32 93.19 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.437 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -78.62 -42.31 29.22 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -178.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.458 ' HG2' HD13 ' B' ' 36' ' ' ILE . 4.5 tp10 -90.74 -35.51 14.84 Favored 'General case' 0 N--CA 1.433 -1.299 0 O-C-N 121.25 -0.906 . . . . 0.0 113.265 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.75 25.79 40.6 Favored Glycine 0 C--N 1.358 1.778 0 O-C-N 121.655 -0.653 . . . . 0.0 111.622 -173.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.458 HD13 ' HG2' ' B' ' 34' ' ' GLU . 56.8 mt -109.97 140.4 22.27 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 119.228 -0.415 . . . . 0.0 110.093 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -50.88 126.64 19.08 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.873 1.716 . . . . 0.0 111.828 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.8 -28.18 81.39 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.238 1.958 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.16 -26.7 64.04 Favored 'General case' 0 N--CA 1.434 -1.227 0 O-C-N 120.725 -1.234 . . . . 0.0 109.473 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -92.78 10.9 28.91 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 119.788 -1.82 . . . . 0.0 111.6 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -116.72 130.39 56.7 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.685 0.278 . . . . 0.0 111.648 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -103.03 126.52 50.25 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.813 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -104.74 129.07 53.03 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 95.4 mt -120.82 136.94 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.043 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -123.64 128.94 50.38 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.35 26.8 9.1 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.64 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.84 16.27 77.51 Favored Glycine 0 CA--C 1.536 1.382 0 N-CA-C 112.275 -0.33 . . . . 0.0 112.275 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -113.69 133.93 55.04 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.998 0.399 . . . . 0.0 110.125 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -61.85 148.73 42.39 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.362 0.414 . . . . 0.0 110.305 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 83.3 mt -115.32 142.59 46.48 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.11 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -102.34 147.58 26.52 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.017 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -63.85 -39.03 93.25 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.882 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.8 22.3 5.88 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 123.626 0.579 . . . . 0.0 113.187 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -119.85 151.63 38.56 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 117.241 0.52 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 18.8 p -101.96 164.03 11.93 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.697 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.39 -40.34 96.19 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.513 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -59.21 -32.65 70.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.513 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.08 -34.3 77.3 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.104 0.252 . . . . 0.0 111.079 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -90.6 10.13 26.82 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 123.234 0.334 . . . . 0.0 111.74 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 57.25 44.94 21.2 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.059 0.457 . . . . 0.0 111.094 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -93.55 125.54 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 -176.15 3.08 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.741 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -56.32 144.16 31.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.824 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 55.47 89.2 0.04 OUTLIER 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.36 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -130.84 143.82 51.01 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.0 m -99.0 126.99 44.83 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.325 0.391 . . . . 0.0 110.466 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 69.8 mt -117.29 142.56 46.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.001 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -103.85 143.68 32.51 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.067 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.7 tp -110.15 131.26 55.21 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.859 -177.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.6 t -127.9 163.79 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.778 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 16.2 tp -101.42 132.32 47.08 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -94.87 137.0 34.51 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 38.1 mt -127.47 142.58 51.36 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.835 -179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 57.87 163.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.795 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.37 24.01 74.19 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.742 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -115.27 137.35 52.13 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.666 0.269 . . . . 0.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 97.0 mmm -68.42 -68.59 0.38 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 176.35 57.83 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.145 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.249 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.51 -23.52 57.52 Favored 'Trans proline' 0 N--CA 1.504 2.126 0 C-N-CA 122.163 1.908 . . . . 0.0 112.877 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.0 t -64.39 -43.29 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.74 -43.32 98.09 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.207 -179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -63.74 -39.45 94.32 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.221 0.326 . . . . 0.0 110.494 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.25 -39.33 78.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.3 mtm -64.59 -40.85 96.26 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.91 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.87 -42.3 85.85 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.242 0.339 . . . . 0.0 110.835 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -65.34 -43.55 90.57 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.18 -41.73 96.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.222 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.4 -42.62 99.57 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.388 0.43 . . . . 0.0 110.965 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -66.33 -41.12 90.08 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.271 0.357 . . . . 0.0 110.729 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.15 -32.93 72.62 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.105 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.54 -46.16 87.25 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.274 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.56 -34.85 72.67 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.503 0.502 . . . . 0.0 110.793 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -64.66 -38.48 91.15 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.37 -37.92 89.2 Favored 'General case' 0 C--N 1.339 0.136 0 O-C-N 123.392 0.433 . . . . 0.0 110.298 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.02 -38.22 90.27 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.406 0.441 . . . . 0.0 110.916 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.94 -46.07 79.52 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.216 0.322 . . . . 0.0 110.347 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -66.23 -42.3 88.86 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -63.17 -38.44 91.17 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.454 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.34 -38.79 88.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.849 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -62.55 -43.36 99.02 Favored 'General case' 0 N--CA 1.457 -0.099 0 O-C-N 123.438 0.461 . . . . 0.0 109.892 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.08 -42.31 89.52 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.06 -43.45 95.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.787 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -70.57 -40.66 73.19 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.213 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 43.2 mtp -63.23 -48.35 78.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.196 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -63.11 -40.61 98.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.541 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -65.73 -34.78 78.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -72.42 -38.86 68.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.002 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.91 -49.19 76.35 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.678 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 32.5 ptt180 -69.07 -19.64 64.08 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.273 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 70.95 -67.29 0.26 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.694 0.398 . . . . 0.0 110.757 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.88 -178.8 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.382 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.97 -25.99 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.69 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 29.8 t 58.08 68.34 0.85 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 120.884 0.373 . . . . 0.0 110.755 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -131.71 167.79 18.87 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -55.08 133.31 48.71 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.545 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -102.0 148.75 24.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.571 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 80.61 -167.88 50.77 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 44.1 t -154.55 168.94 25.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.509 0.195 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.87 -44.42 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.948 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -80.87 138.46 36.18 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.16 -48.38 68.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.272 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -135.68 163.5 30.01 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.179 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 31.5 tp -84.64 129.87 34.79 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.707 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 52.3 mt -131.09 164.1 26.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.218 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 94.9 mtm-85 -59.91 -37.56 79.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 88.2 p -54.62 127.66 28.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 44.8 t -70.57 147.02 49.73 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.783 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -80.04 138.32 36.98 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 93.8 mtp -64.27 -40.91 96.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -165.18 152.39 10.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.6 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 136.7 -172.13 22.68 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -66.29 148.12 52.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.532 0.206 . . . . 0.0 110.451 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.587 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -67.82 133.02 48.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.721 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -127.33 138.77 53.12 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.181 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -81.46 123.33 28.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.089 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -115.39 22.56 13.14 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.538 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.2 p -58.84 -41.37 86.78 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 110.404 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.96 -42.55 88.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.48 -43.66 89.56 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.171 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.57 -36.57 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -56.61 -43.66 80.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.967 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.11 -40.82 95.21 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.968 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.3 t -61.79 -44.43 98.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 35.4 tp -60.77 -37.61 82.47 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.921 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.36 -37.58 87.83 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.412 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -34.78 36.91 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.453 0.471 . . . . 0.0 110.97 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.7 p -76.88 -30.15 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.348 -178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.53 91.96 0.2 Allowed Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -55.0 -36.16 91.9 Favored 'Trans proline' 0 N--CA 1.504 2.113 0 C-N-CA 122.462 2.108 . . . . 0.0 112.912 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -62.97 -44.37 96.24 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.09 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -70.15 137.42 51.02 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.225 0.328 . . . . 0.0 110.535 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.31 171.74 14.03 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.0 tt -135.65 141.11 43.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.263 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.6 p -82.13 158.66 23.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.076 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.6 m -61.05 -34.84 75.5 Favored 'General case' 0 CA--C 1.498 -1.049 0 C-N-CA 123.912 0.885 . . . . 0.0 109.839 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.53 -40.78 89.3 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.492 0.717 . . . . 0.0 110.473 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.95 -36.4 83.85 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.7 mmm -61.84 -44.81 96.09 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.01 -40.46 99.33 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.223 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.53 -43.73 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.28 -39.17 89.22 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.146 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.54 -42.35 98.4 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.164 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.2 p -66.77 -33.64 76.06 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.472 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -62.06 -44.76 96.0 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.864 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.35 -45.51 96.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -62.47 -42.81 99.74 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.372 0.42 . . . . 0.0 111.381 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.21 -46.16 85.1 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.391 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.17 -41.75 93.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.923 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -57.05 -45.33 83.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -63.51 -42.41 98.48 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 123.258 0.349 . . . . 0.0 111.403 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.02 -45.09 90.46 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.276 0.36 . . . . 0.0 111.727 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 90.2 mt -65.83 -43.78 93.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 123.257 0.348 . . . . 0.0 110.232 -179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.71 89.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.452 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.99 95.39 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -67.69 -40.93 84.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.78 96.05 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.386 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.8 p -61.39 -43.48 98.8 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.322 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -63.26 -40.33 97.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.481 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.73 -39.82 95.27 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.723 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.03 -37.71 85.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -65.1 -42.28 94.16 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.189 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.16 -40.21 95.25 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.421 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -92.0 2.39 56.59 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.987 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 53.42 33.5 16.07 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.735 0.303 . . . . 0.0 111.175 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 97.0 mtt-85 -95.72 117.03 29.75 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.402 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.8 p -67.85 -39.39 83.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.444 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.1 m -97.28 131.48 43.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.802 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.1 mt -88.69 135.13 26.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 73.0 p -128.93 176.72 7.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.932 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.2 m -56.29 -33.53 65.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.956 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.68 -44.24 97.32 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.122 0.264 . . . . 0.0 111.67 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -66.46 -43.25 86.03 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.045 0.216 . . . . 0.0 110.593 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.59 -41.7 93.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.826 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -55.56 -43.56 76.0 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.268 0.355 . . . . 0.0 110.669 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.1 m -62.75 -45.15 94.01 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.314 0.384 . . . . 0.0 110.168 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.09 -37.62 88.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.486 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.9 t -61.95 -45.22 99.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.169 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -62.79 -39.02 92.96 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.346 0.404 . . . . 0.0 111.384 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.0 mt -72.68 -34.66 67.35 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.1 mt -81.78 -37.96 26.37 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.4 mp -95.51 146.24 30.97 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -56.43 165.67 4.2 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.157 1.905 . . . . 0.0 111.533 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.06 -47.5 54.48 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.696 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -65.05 -44.02 90.39 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 117.009 0.404 . . . . 0.0 111.521 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.71 -39.86 95.36 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.36 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.07 -42.34 98.32 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.287 0.367 . . . . 0.0 111.855 -179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.2 -44.17 97.17 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.101 0.25 . . . . 0.0 111.161 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' HB3' ' CZ ' ' A' ' 146' ' ' TYR . 56.2 m80 -70.71 -36.41 73.22 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.351 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.66 -37.7 79.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.3 t -62.92 -38.12 81.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 123.429 0.456 . . . . 0.0 110.018 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -60.34 -50.02 75.26 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -68.88 -40.39 79.27 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-N 119.169 0.895 . . . . 0.0 111.744 -178.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.34 -47.88 55.34 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 121.366 -0.445 . . . . 0.0 112.104 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.8 m -63.57 -46.09 87.44 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.448 0.166 . . . . 0.0 110.699 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.63 -37.73 87.48 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.803 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.43 90.09 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.345 0.403 . . . . 0.0 110.015 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.02 -44.06 92.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.4 m -61.24 -42.85 99.33 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.113 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -61.66 -41.63 97.8 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -61.17 -45.42 94.67 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 42.3 p -68.69 -34.58 75.9 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.243 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.1 p -66.94 -42.88 84.57 Favored 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 118.788 -2.445 . . . . 0.0 111.541 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 t -72.33 125.42 27.33 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 118.852 -1.139 . . . . 0.0 110.865 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.78 73.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.626 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.5 t -153.88 141.05 19.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.763 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -142.67 150.18 39.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.319 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -65.19 -39.41 92.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.004 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.3 p -119.83 153.23 36.08 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -69.38 -40.66 77.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.157 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -32.67 71.72 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.609 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.4 t -61.99 -40.12 94.53 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -64.74 -36.3 83.84 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.63 -21.91 26.48 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.505 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.09 30.27 72.04 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.1 mt -105.33 134.27 48.71 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -62.49 -42.72 99.69 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.631 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -63.75 141.71 97.98 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.03 104.04 0.32 Allowed 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 122.028 1.819 . . . . 0.0 111.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.41 -42.63 95.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.349 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.11 -42.14 86.98 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.63 -36.78 85.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.442 0.121 . . . . 0.0 111.092 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.72 -45.44 94.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -60.21 -44.14 95.4 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.408 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -65.97 -38.26 88.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.99 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.28 -41.54 97.12 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.402 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.95 -45.31 94.22 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.231 0.332 . . . . 0.0 110.857 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -66.7 -39.06 87.91 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.935 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.92 -39.66 95.23 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.467 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.83 -11.03 34.88 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 58.07 31.34 20.56 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.781 0.324 . . . . 0.0 111.235 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -71.4 -41.41 69.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.591 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.3 p -139.1 162.05 35.89 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.523 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -66.87 -39.23 87.47 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.676 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -137.48 147.75 45.51 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.312 0.383 . . . . 0.0 110.699 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.12 136.72 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.63 179.7 53.34 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -93.1 -38.7 11.46 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.531 -0.335 . . . . 0.0 110.797 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.53 -37.8 94.07 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.653 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -57.7 -59.7 12.21 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-O 118.962 -0.542 . . . . 0.0 110.722 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_exo -54.12 -39.07 87.38 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.686 1.591 . . . . 0.0 111.541 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 92.5 t -62.61 -46.33 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.04 -45.28 94.23 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.415 0.447 . . . . 0.0 110.302 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 39.3 tp -62.5 -41.5 98.86 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.56 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -61.26 -38.36 86.44 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.989 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.29 92.52 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.983 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.82 -44.07 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.166 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.33 -39.98 96.05 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.25 -41.17 98.2 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 84.9 t80 -61.43 -46.22 91.04 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.317 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.0 -41.67 96.98 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.396 0.435 . . . . 0.0 110.928 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.4 m -61.93 -45.28 94.37 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.401 0.438 . . . . 0.0 110.664 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.86 84.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.679 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -66.25 -42.67 88.22 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.352 0.407 . . . . 0.0 111.228 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.19 -42.98 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 O-C-N 123.424 0.453 . . . . 0.0 109.958 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.18 -40.58 97.93 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.794 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.48 -47.3 76.55 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.075 0.234 . . . . 0.0 110.716 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.78 -41.61 97.92 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.52 81.51 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.337 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.39 -42.2 99.71 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -60.96 -44.7 96.95 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.539 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.52 91.42 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -62.21 -38.32 88.71 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.313 179.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -62.21 -38.86 90.77 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.355 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.48 -25.35 68.22 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -95.09 14.96 20.26 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.43 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 56.62 28.15 13.6 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.694 0.283 . . . . 0.0 111.356 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 71.5 tttt -135.33 125.18 25.58 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.342 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 33.0 p -74.06 -33.92 63.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.213 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -62.14 148.51 44.18 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.225 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.49 128.5 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 13.3 pt -124.72 164.92 28.04 Favored Pre-proline 0 N--CA 1.474 0.734 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.168 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.35 -36.69 48.57 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 122.231 1.954 . . . . 0.0 112.065 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -63.83 -39.85 95.19 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.407 0.442 . . . . 0.0 109.965 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 53.3 m170 -65.8 -42.25 90.92 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.616 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.21 -42.65 99.49 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -65.24 -43.03 92.67 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.5 tt -61.52 -43.35 99.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.597 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -60.71 -44.74 96.22 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.507 0.504 . . . . 0.0 111.532 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 96.2 mt -67.95 -43.49 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 O-C-N 123.419 0.45 . . . . 0.0 110.866 -179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -62.04 -35.78 79.62 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -82.03 -15.82 52.31 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.238 179.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -100.84 114.87 29.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.277 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -60.94 -36.0 78.2 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.548 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -66.34 -47.22 74.19 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.326 0.391 . . . . 0.0 111.465 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 73.7 mt -64.97 -40.22 94.66 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.211 0.32 . . . . 0.0 110.9 179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -61.09 -40.43 93.69 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.365 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.96 -45.72 91.1 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.635 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.71 -42.7 85.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.885 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 71.9 mt -96.98 21.27 9.95 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.973 -178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -54.67 -40.2 69.93 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -108.24 29.65 7.14 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.622 0.249 . . . . 0.0 111.627 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 99.1 t -127.68 130.83 70.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 41.6 m -106.0 124.15 49.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.66 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 45.3 mm -68.26 -43.17 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.378 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -51.13 142.65 12.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.041 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 55.64 97.32 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.278 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 117.978 -1.457 . . . . 0.0 111.0 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' B' ' 62' ' ' GLN . 6.3 ptp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -110.97 126.98 55.34 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 38.8 pt -131.94 160.55 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.286 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.25 132.43 56.62 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.581 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.45 113.5 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -101.26 151.63 21.64 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.107 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 70.1 p -125.88 162.12 25.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.498 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.17 -18.23 64.55 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.368 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.9 p -69.32 -21.49 63.84 Favored 'General case' 0 N--CA 1.44 -0.935 0 O-C-N 119.997 -1.69 . . . . 0.0 111.231 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.52 15.39 27.44 Favored Glycine 0 C--N 1.355 1.611 0 O-C-N 121.285 -0.884 . . . . 0.0 112.492 -172.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -101.71 138.41 38.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 117.017 0.408 . . . . 0.0 110.043 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.1 m -122.0 128.71 51.76 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.89 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 48.6 pt -125.67 138.96 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.277 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -80.22 132.65 35.91 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.769 0.795 . . . . 0.0 109.701 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 tp -138.13 135.41 35.71 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 119.339 -0.945 . . . . 0.0 110.525 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -109.37 115.52 30.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.026 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -137.17 157.65 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.993 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.28 151.07 42.52 Favored Pre-proline 0 CA--C 1.539 0.519 0 O-C-N 123.31 0.381 . . . . 0.0 110.672 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -56.49 -31.45 86.13 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 122.148 1.899 . . . . 0.0 112.331 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.6 p -79.13 -13.79 59.52 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -66.39 142.3 57.65 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.603 0.239 . . . . 0.0 110.665 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -81.14 161.39 24.09 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.932 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.4 mm -63.93 -42.02 94.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.504 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -54.81 -39.9 68.98 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.02 -40.95 99.27 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.32 0.388 . . . . 0.0 110.061 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.6 t -61.91 -43.69 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.69 -37.92 83.26 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.958 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.23 93.17 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.251 0.345 . . . . 0.0 110.491 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.1 -39.94 96.18 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.99 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.05 -41.72 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -56.04 -38.36 70.46 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -66.78 -35.56 80.36 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.983 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -78.4 -46.34 20.16 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -94.62 -38.2 10.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.91 29.82 22.27 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 124.72 1.153 . . . . 0.0 111.753 -170.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.5 mt -99.05 128.49 31.95 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.309 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.78 126.04 19.94 Favored 'Trans proline' 0 N--CA 1.503 2.049 0 C-N-CA 122.176 1.917 . . . . 0.0 111.416 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -55.54 -33.35 86.27 Favored 'Trans proline' 0 N--CA 1.505 2.154 0 C-N-CA 122.393 2.062 . . . . 0.0 112.912 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.492 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 25.9 t0 -64.99 -34.2 77.87 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.866 -1.146 . . . . 0.0 108.748 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -87.35 11.12 15.22 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 122.606 0.363 . . . . 0.0 111.662 -170.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -130.76 142.72 50.42 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.025 0.203 . . . . 0.0 110.981 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -115.16 144.0 44.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.849 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.1 mt -113.88 134.0 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 98.3 mt -126.35 139.43 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 O-C-N 123.372 0.42 . . . . 0.0 110.714 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -123.78 123.82 41.33 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.19 27.82 12.21 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.55 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.12 15.61 74.17 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 116.401 -0.363 . . . . 0.0 112.452 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -112.44 135.22 53.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 117.056 0.428 . . . . 0.0 110.052 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -60.33 148.25 37.65 Favored 'General case' 0 CA--C 1.517 -0.302 0 O-C-N 123.375 0.422 . . . . 0.0 110.669 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 82.0 mt -117.83 130.05 56.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -90.02 141.38 28.72 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.007 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -64.4 -39.18 93.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.676 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.64 3.33 49.9 Favored Glycine 0 CA--C 1.537 1.417 0 O-C-N 123.535 0.522 . . . . 0.0 113.073 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -105.02 159.74 15.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.364 0.582 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -101.74 163.24 12.36 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.655 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 70.4 mt -62.79 -40.79 98.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.592 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.8 p -59.82 -30.08 68.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.717 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.08 -31.51 72.76 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.192 0.308 . . . . 0.0 111.238 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -91.12 15.33 11.92 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.93 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 65.77 45.43 2.59 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.208 0.528 . . . . 0.0 111.265 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.9 mt -105.12 111.8 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . 0.403 ' O ' ' SD ' ' B' ' 1' ' ' MET . 95.6 mm-40 -99.49 -66.71 0.89 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.628 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -153.29 152.1 30.77 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 48.51 74.9 0.16 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.147 0.498 . . . . 0.0 111.041 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.1 p -120.74 148.25 44.22 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.066 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 27.2 m -105.72 124.04 48.92 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.38 0.425 . . . . 0.0 110.34 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 45.9 mt -114.92 124.85 52.74 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.822 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -87.58 144.76 26.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.013 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.2 tp -110.62 129.53 55.79 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 111.757 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 13.5 t -127.1 166.84 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.653 179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . . . . . . . . . 13.9 tp -107.84 113.59 26.92 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.524 -178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.492 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 42.2 ttm180 -81.12 134.73 35.7 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 57.3 mt -117.43 103.19 9.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.77 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -111.85 140.91 46.11 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.152 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.42 136.56 28.25 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -152.73 165.18 36.13 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.53 0.205 . . . . 0.0 110.632 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 96.1 mmm -122.95 149.73 43.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.567 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.12 138.3 5.13 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.411 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.13 -17.71 35.74 Favored 'Trans proline' 0 N--CA 1.503 2.053 0 C-N-CA 122.251 1.967 . . . . 0.0 112.899 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 50.2 t -62.58 -42.99 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.21 -42.46 98.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.469 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -63.45 -41.05 98.63 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 123.332 0.395 . . . . 0.0 110.179 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.06 -37.73 86.56 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.61 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 51.8 mtm -64.33 -38.48 91.18 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.619 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.74 -44.09 97.12 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.191 0.307 . . . . 0.0 110.439 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -66.71 -43.73 83.54 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.982 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.08 -39.74 94.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.292 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.52 -38.54 90.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -62.52 -42.46 99.53 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.152 0.282 . . . . 0.0 110.666 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -72.87 -41.59 64.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.216 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.01 -44.79 88.04 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.589 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -68.1 -32.59 73.01 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.568 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.37 -43.71 92.84 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.58 -38.87 92.51 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.308 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -63.29 -38.33 90.73 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.429 0.456 . . . . 0.0 110.887 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -63.02 -45.9 90.13 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.349 0.405 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 672' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -65.37 -42.37 92.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 673' ' ' ALA . . . . . . . . . . . . . . . -61.56 -38.1 86.24 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.346 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 20.5 tp -61.6 -39.47 91.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.008 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.92 -42.58 99.26 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.429 0.455 . . . . 0.0 109.845 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.6 -42.93 95.23 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.17 -43.0 96.16 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.123 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -69.89 -41.54 74.61 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.418 0.449 . . . . 0.0 111.296 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 53.3 mtp -63.6 -44.41 94.07 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.303 0.377 . . . . 0.0 111.414 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.61 -39.76 84.74 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.692 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.92 -34.34 77.75 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.44 0.462 . . . . 0.0 110.518 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.65 -40.27 94.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.557 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.1 -40.26 94.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.836 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -65.94 -46.32 78.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -137.17 147.17 45.74 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 35.6 p -56.41 -44.5 80.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.662 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 10.8 p -144.87 150.36 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.793 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 40.3 t -113.27 131.43 55.92 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -107.75 141.68 38.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.336 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.24 96.44 4.59 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.44 -45.6 86.77 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.628 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 54.9 18.99 12.71 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 12.1 t -66.81 -42.8 85.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 11.7 p -123.26 131.66 72.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.443 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -118.64 22.21 12.14 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -154.52 175.16 13.96 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.455 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -67.72 147.03 53.19 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 21.6 tp -60.61 127.68 32.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.284 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 74.8 mt -128.89 154.77 46.18 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -77.09 -12.34 59.93 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 74.4 m -57.94 -41.08 82.07 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 122.982 0.176 . . . . 0.0 110.79 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 22.6 t -73.19 104.91 4.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.813 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -97.18 18.36 15.14 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.259 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 10.9 tpp -63.07 -41.0 99.35 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.363 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 48.48 90.71 0.02 OUTLIER 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.789 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -97.52 118.93 6.23 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -110.51 140.0 45.2 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 62.7 tttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.266 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.93 -41.88 98.45 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.354 0.409 . . . . 0.0 110.417 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -92.74 177.31 6.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.132 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.9 t -119.17 81.9 1.78 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.222 0.534 . . . . 0.0 110.588 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -100.24 7.47 44.43 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.261 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.415 ' O ' ' HE2' ' A' ' 35' ' ' MET . 78.4 p -58.95 -42.14 89.11 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 120.973 0.416 . . . . 0.0 110.399 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.77 -41.98 85.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -64.24 -43.66 94.22 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.133 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 14' ' ' SER . 10.5 p -64.09 -37.23 79.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -58.01 -42.35 85.06 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.107 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.68 -42.98 99.67 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.501 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG13 ' CE2' ' C' ' 697' ' ' TYR . 94.0 t -59.75 -43.61 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.122 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.524 ' HA ' HG12 ' A' ' 24' ' ' VAL . 32.9 tp -60.63 -36.95 79.9 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -66.08 -40.16 90.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.82 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -35.79 54.78 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.938 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.8 p -77.94 -28.61 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.692 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.05 89.7 0.23 Allowed Pre-proline 0 CA--C 1.552 1.03 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.426 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -54.27 -37.38 88.26 Favored 'Trans proline' 0 N--CA 1.505 2.151 0 C-N-CA 122.574 2.182 . . . . 0.0 113.039 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.54 -51.2 70.44 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.0 p -74.45 135.68 42.31 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.212 0.32 . . . . 0.0 110.936 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.24 177.5 18.13 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 tt -133.58 137.62 52.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.809 0.338 . . . . 0.0 110.325 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.1 t -75.62 153.62 37.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.215 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.1 p -60.62 -33.32 72.6 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 121.591 -0.693 . . . . 0.0 110.585 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -67.39 -40.34 85.64 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 122.534 0.334 . . . . 0.0 110.49 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB1' HD11 ' A' ' 172' ' ' LEU . . . -63.23 -37.04 85.69 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.415 ' HE2' ' O ' ' A' ' 14' ' ' SER . 39.0 mtp -63.1 -42.55 99.62 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.943 0.402 . . . . 0.0 110.419 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.87 -38.71 96.99 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.947 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.16 -42.44 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.2 mmm -62.01 -36.23 80.92 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.246 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -61.74 -42.55 99.11 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.134 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.4 p -65.51 -33.84 76.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.405 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.81 -44.32 97.09 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.48 -44.41 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -62.92 -41.7 99.55 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.274 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.58 -45.0 88.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.474 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.529 HG22 HD12 ' A' ' 49' ' ' ILE . 37.3 mm -64.74 -42.68 95.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.855 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.45 -45.43 88.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -63.11 -45.58 91.35 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -64.6 -46.19 83.71 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.21 0.319 . . . . 0.0 111.683 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.535 HG21 HD13 ' A' ' 140' ' ' LEU . 94.4 mt -66.92 -43.2 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 O-C-N 123.272 0.358 . . . . 0.0 110.27 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.84 -47.97 81.12 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.387 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.09 96.33 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -67.82 -41.68 82.67 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.48 95.11 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.377 0.423 . . . . 0.0 110.545 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.3 p -61.07 -41.46 96.67 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.403 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -62.22 -41.99 98.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.502 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.86 -38.69 92.03 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.775 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -60.84 -39.52 89.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.457 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -65.16 -42.54 93.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.339 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -60.96 -40.65 94.19 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.462 0.476 . . . . 0.0 109.967 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -85.96 -1.7 57.57 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.974 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 58.39 29.79 18.7 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.751 0.31 . . . . 0.0 111.228 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 84.7 mtp180 -108.65 114.84 28.98 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.5 m -64.4 -41.31 96.72 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 m -81.87 128.43 34.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.781 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 77.0 mt -87.3 134.09 28.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.0 p -127.58 175.3 8.37 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.93 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -56.64 -33.62 66.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.938 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -60.1 -44.56 94.75 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -66.18 -42.12 89.32 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.114 0.259 . . . . 0.0 110.701 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.733 HD11 ' HB1' ' A' ' 136' ' ' ALA . 84.3 mt -64.8 -42.37 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.223 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -55.22 -44.36 75.35 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.135 0.272 . . . . 0.0 111.229 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.7 m -63.49 -45.06 92.47 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.272 0.358 . . . . 0.0 110.521 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.03 89.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.843 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 70' ' ' ILE . 71.9 t -62.32 -45.29 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.486 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -64.28 -38.11 89.88 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.254 0.346 . . . . 0.0 111.466 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.78 -33.56 75.06 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.338 0.399 . . . . 0.0 111.989 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.1 mt -86.96 -36.81 18.09 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 82' ' ' LEU . 4.6 mp -90.39 138.27 27.1 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.49 ' HG2' HD13 ' A' ' 82' ' ' LEU . 8.4 Cg_endo -52.67 -175.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.503 2.074 0 C-N-CA 122.474 2.116 . . . . 0.0 111.721 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.09 -49.53 61.76 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 116.458 -0.337 . . . . 0.0 113.438 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -67.03 -46.63 73.87 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.917 0.359 . . . . 0.0 111.667 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.587 HD11 ' HD3' ' C' ' 700' ' ' ARG . 10.1 mp -65.6 -38.64 90.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.222 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.08 -43.18 99.27 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.595 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -62.28 -46.89 86.73 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.214 0.321 . . . . 0.0 110.682 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -66.35 -35.95 81.65 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.534 0.521 . . . . 0.0 110.941 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.68 78.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.305 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 83' ' ' ALA . 98.3 t -60.83 -44.09 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.556 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.9 m -65.33 -37.39 86.93 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.8 -49.11 69.46 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.89 0.876 . . . . 0.0 111.817 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -71.47 -42.33 56.16 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.9 m -61.31 -47.54 85.48 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 121.363 -0.135 . . . . 0.0 110.706 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.38 -37.83 88.81 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.434 0.459 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.98 96.46 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 90' ' ' GLY . 97.6 t -67.56 -44.06 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 m -61.42 -44.79 96.52 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.158 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -61.34 -42.58 98.92 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.411 ' CZ ' ' HD3' ' A' ' 109' ' ' ARG . 38.6 t80 -60.85 -45.47 94.37 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.7 p -69.32 -33.51 73.27 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.565 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.5 t -66.18 -43.53 86.59 Favored 'General case' 0 CA--C 1.496 -1.097 0 C-N-CA 126.754 2.021 . . . . 0.0 110.198 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.6 m -59.95 134.86 57.44 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 122.354 0.262 . . . . 0.0 110.845 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.52 -58.56 1.88 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.685 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.2 m -96.98 114.2 25.8 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.714 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 178.97 118.01 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.357 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -93.83 -12.28 29.36 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.707 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 34.5 m -100.37 130.87 46.53 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -64.12 -43.84 94.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.488 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.7 p -65.22 -43.44 91.51 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 t -66.23 -40.93 90.61 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 71.6 ttt180 -66.12 -35.32 80.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.691 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.57 -31.74 32.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.273 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.61 29.51 43.36 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -104.75 136.11 44.88 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.483 0.182 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.07 -45.11 93.71 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.517 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -66.57 142.58 97.71 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.744 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.85 101.88 0.16 Allowed 'Trans proline' 0 N--CA 1.501 1.95 0 C-N-CA 122.247 1.965 . . . . 0.0 111.858 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.39 -43.89 98.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.21 -39.56 96.12 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -63.16 -39.81 95.74 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.93 -45.17 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.36 -42.04 86.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -66.13 -39.6 89.99 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.437 0.461 . . . . 0.0 111.184 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.95 -40.0 94.05 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.391 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.72 -44.43 96.93 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.255 0.347 . . . . 0.0 110.82 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -69.8 -39.3 76.66 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.933 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.47 -38.43 91.12 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.74 -8.38 20.91 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 59.4 25.28 13.98 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.976 0.388 . . . . 0.0 111.489 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -68.91 -40.64 79.01 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.322 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 98.9 p -144.93 154.84 43.02 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.707 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.29 -38.72 88.41 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.19 147.07 51.0 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.94 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.55 134.49 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.6 177.15 53.16 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -92.2 -37.97 12.4 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.914 0.388 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.97 -22.03 73.8 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.826 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.784 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -71.03 -59.02 3.68 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.207 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.784 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 38.1 Cg_exo -55.01 -37.56 93.77 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 121.785 1.657 . . . . 0.0 110.93 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 134' ' ' ALA . 89.1 t -65.32 -44.88 94.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.15 -49.03 77.49 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.266 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.535 HD13 HG21 ' A' ' 49' ' ' ILE . 39.0 tp -63.49 -40.96 98.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.636 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.0 88.83 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.726 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.43 93.92 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.484 0.49 . . . . 0.0 110.594 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 83.7 t -64.92 -43.62 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 O-C-N 123.38 0.425 . . . . 0.0 110.167 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.74 -42.47 99.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.088 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -63.41 -39.53 94.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.255 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -62.6 -46.15 89.6 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.3 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.67 -40.57 97.49 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.5 m -61.72 -45.13 95.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.698 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.14 84.77 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.686 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -63.83 -43.16 97.03 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.323 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.4 -43.31 97.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 123.319 0.387 . . . . 0.0 110.023 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.33 -40.45 97.34 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.745 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -45.6 85.46 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.186 0.304 . . . . 0.0 110.497 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.425 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 58.1 mt -63.16 -40.8 98.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.26 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.81 84.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.349 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.7 98.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -61.97 -43.88 97.92 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.415 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.04 -40.04 90.65 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.098 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -57.94 -45.21 86.97 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.026 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -61.35 -38.71 87.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.242 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.68 -34.34 77.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -90.96 11.96 21.15 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.825 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 57.23 36.88 27.94 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.055 0.455 . . . . 0.0 111.401 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.498 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 98.9 mttt -127.8 136.0 50.87 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.574 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 22.0 p -88.78 -29.82 19.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.277 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -82.29 146.04 29.65 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.183 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 69.5 mt -100.11 128.21 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.57 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 20.8 pt -123.41 164.67 26.77 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.01 -33.77 35.56 Favored 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 122.263 1.975 . . . . 0.0 112.279 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -62.9 -42.0 99.63 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -66.69 -42.15 86.92 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.422 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.413 HD11 ' HB1' ' A' ' 34' ' ' ALA . 64.7 mt -62.3 -44.8 95.66 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.957 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.33 -39.81 85.88 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.223 0.327 . . . . 0.0 110.775 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.87 -42.34 98.94 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.655 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -63.76 -42.43 97.82 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.34 0.4 . . . . 0.0 111.27 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.58 HD13 HD13 ' A' ' 182' ' ' LEU . 41.5 mm -64.49 -43.27 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.112 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -74.23 -17.15 60.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.962 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.7 -18.37 56.68 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ASP . . . . . 0.466 ' OD2' HD12 ' A' ' 182' ' ' LEU . 17.7 p-10 -126.8 129.69 48.82 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.03 -31.12 71.45 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 123.392 0.432 . . . . 0.0 111.727 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -57.87 -50.96 71.56 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.568 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 176' ' ' ILE . 44.2 mt -70.02 -34.99 73.99 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.214 0.321 . . . . 0.0 110.455 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -58.53 -41.76 86.26 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.396 0.435 . . . . 0.0 109.93 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -64.26 -43.18 95.66 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.48 -41.77 98.57 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 76.9 mt -100.07 19.71 15.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.116 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.32 -37.83 75.6 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -96.6 13.68 27.37 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 68.5 t -128.05 130.58 69.77 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 28.0 m -112.48 121.02 43.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.572 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 45.1 mm -62.18 -49.34 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -177.04 110.96 0.08 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -150.0 153.17 36.09 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.247 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.991 -1.45 . . . . 0.0 111.057 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.8 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.14 147.79 49.54 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.902 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.494 HD12 HD12 ' B' ' 67' ' ' LEU . 45.4 pt -135.71 156.82 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 123.614 0.571 . . . . 0.0 109.858 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -110.87 127.85 55.58 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -110.04 115.76 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -104.38 151.04 23.96 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.816 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -116.66 161.7 18.8 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.552 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.37 -18.92 62.75 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.884 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.2 p -69.39 -20.94 63.81 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 118.952 -2.342 . . . . 0.0 111.576 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.6 14.88 24.33 Favored Glycine 0 C--N 1.356 1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 112.741 -172.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -100.47 151.19 21.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 117.148 0.474 . . . . 0.0 110.221 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -134.53 133.16 40.02 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.609 HD12 ' CD ' ' B' ' 33' ' ' LYS . 45.7 pt -127.4 135.03 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.419 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -84.16 141.85 30.76 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 tp -139.59 133.13 30.3 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.549 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -101.32 114.52 28.59 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.396 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 m -142.03 159.89 20.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.174 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -104.55 161.62 22.3 Favored Pre-proline 0 CA--C 1.541 0.61 0 O-C-N 123.152 0.282 . . . . 0.0 110.427 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.54 -28.03 79.18 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 122.366 2.044 . . . . 0.0 112.465 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.2 m -82.35 -10.86 58.92 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.23 139.79 57.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.599 0.238 . . . . 0.0 110.665 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.51 HG22 HG22 ' B' ' 55' ' ' THR . 55.5 p -87.46 159.04 18.82 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.78 -42.32 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.656 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -53.98 -41.1 67.53 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.14 -40.24 95.29 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.341 0.401 . . . . 0.0 109.998 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.74 -39.02 84.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.829 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -57.06 -44.26 82.85 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.785 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.31 93.71 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.372 0.42 . . . . 0.0 110.858 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.58 -40.9 98.35 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.499 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.468 HG22 ' NE2' ' B' ' 41' ' ' GLN . 87.2 mt -63.29 -42.3 95.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -56.05 -37.02 68.7 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -67.54 -38.59 84.4 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.968 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.609 ' CD ' HD12 ' B' ' 13' ' ' ILE . 67.9 mttm -76.71 -44.22 34.31 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -89.6 -41.32 12.04 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 125.308 1.443 . . . . 0.0 114.226 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.66 21.88 52.18 Favored Glycine 0 C--N 1.352 1.456 0 C-N-CA 124.908 1.242 . . . . 0.0 111.576 -170.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -102.23 139.04 19.91 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-O 119.201 -0.428 . . . . 0.0 110.079 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -49.61 138.05 32.6 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.901 1.734 . . . . 0.0 112.06 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -65.03 -28.08 57.52 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.129 1.886 . . . . 0.0 112.578 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -69.23 -31.84 70.67 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.556 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 34.0 mt-30 -85.57 10.53 12.92 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.122 0.569 . . . . 0.0 111.449 -176.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.468 ' NE2' HG22 ' B' ' 30' ' ' ILE . 96.5 mt-30 -115.09 134.91 54.76 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.855 HH12 HD22 ' C' ' 676' ' ' LEU . 8.2 mtt180 -119.35 133.52 55.68 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.681 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 84.3 mt -111.74 132.53 54.58 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.615 HD11 HD12 ' C' ' 676' ' ' LEU . 95.6 mt -124.54 141.19 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 123.499 0.5 . . . . 0.0 111.002 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -123.95 123.81 41.21 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.67 30.07 14.85 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.32 13.52 81.69 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 116.421 -0.354 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.402 ' C ' HG23 ' B' ' 44' ' ' ILE . 48.9 mtmt -110.33 134.18 52.54 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 117.126 0.463 . . . . 0.0 110.081 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.19 149.88 40.39 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.385 0.428 . . . . 0.0 110.111 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -116.5 136.68 52.78 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.319 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -91.23 141.06 29.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.885 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -64.01 -41.16 97.55 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.852 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.27 -12.99 76.8 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.24 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.99 154.75 19.22 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.175 0.487 . . . . 0.0 111.278 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.51 HG22 HG22 ' B' ' 22' ' ' THR . 20.5 p -99.07 167.1 10.93 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.579 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.21 -41.03 98.01 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.686 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -57.39 -30.39 64.87 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.8 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -61.55 -35.96 79.24 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.019 0.2 . . . . 0.0 111.302 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -91.05 10.25 27.48 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.843 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.4 t30 54.38 53.92 10.17 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.188 0.518 . . . . 0.0 111.186 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -98.83 123.63 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -100.46 -174.63 2.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.686 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -59.29 148.75 30.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.243 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 58.61 81.88 0.15 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 110.023 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -128.97 153.32 47.67 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.405 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -114.87 127.22 55.58 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.295 0.372 . . . . 0.0 110.503 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.494 HD12 HD12 ' B' ' 3' ' ' ILE . 83.8 mt -122.21 136.94 54.98 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.915 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -99.51 150.2 22.45 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.235 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.06 134.46 53.6 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.728 HG22 ' HB1' ' C' ' 673' ' ' ALA . 14.9 t -127.73 164.75 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.477 ' N ' HG12 ' B' ' 70' ' ' VAL . 11.4 tp -107.36 126.04 51.96 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.467 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 71.7 mtt-85 -84.15 136.96 33.77 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' C' ' 680' ' ' PHE . 72.2 mt -121.66 107.67 12.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.834 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -144.35 149.36 36.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.608 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.7 90.61 0.76 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -66.02 -45.89 79.89 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.547 0.213 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 99.4 mtp -66.66 -43.65 83.97 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 45.77 55.55 15.07 Favored Pre-proline 0 CA--C 1.562 1.404 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.507 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.88 -14.45 35.72 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.069 1.846 . . . . 0.0 112.935 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.418 HG12 ' CE ' ' C' ' 659' ' ' MET . 48.2 t -61.49 -41.56 90.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.477 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 31.7 mt -60.34 -43.06 96.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.881 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.79 -40.64 92.13 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.159 0.287 . . . . 0.0 110.613 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.61 -39.04 84.76 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.477 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 73.5 mtm -64.09 -39.21 93.57 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.977 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.64 -44.93 92.42 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.246 0.342 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -68.75 -44.23 74.18 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.988 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.08 -37.85 88.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.73 -40.64 97.85 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.239 0.337 . . . . 0.0 110.922 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -62.4 -43.17 99.45 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.205 0.316 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -72.61 -36.52 68.11 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.01 -45.24 86.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.084 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.13 -33.01 75.01 Favored 'General case' 0 CA--C 1.521 -0.135 0 O-C-N 123.619 0.574 . . . . 0.0 110.534 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -61.42 -46.39 90.33 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -68.17 -40.73 82.2 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -64.12 -40.1 95.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.483 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.54 -45.41 87.27 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.507 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.2 tm? -64.98 -42.82 94.2 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.728 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -61.04 -38.81 87.47 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.457 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.87 -39.31 91.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.722 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.56 -43.04 99.81 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.096 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.855 HD22 HH12 ' B' ' 42' ' ' ARG . 95.8 mt -63.76 -41.12 98.05 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.26 -40.98 98.94 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.936 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -68.66 -41.79 78.83 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.41 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 679' ' ' MET . . . . . 0.674 ' CE ' HD23 ' C' ' 676' ' ' LEU . 73.1 mtm -63.45 -42.43 98.64 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.209 0.318 . . . . 0.0 111.024 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.418 ' HB3' HD12 ' B' ' 73' ' ' LEU . 16.8 m-85 -62.49 -40.93 98.29 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.489 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.73 -34.0 76.87 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 123.467 0.479 . . . . 0.0 110.269 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.27 -38.96 91.32 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.389 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -54.86 -35.17 63.75 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.342 0.401 . . . . 0.0 110.451 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' C' ' 685' ' ' ARG . 60.6 mtp85 -60.19 -18.84 51.05 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.313 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 685' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' C' ' 684' ' ' ARG . 93.3 mtt-85 84.53 -18.58 0.4 Allowed 'General case' 0 N--CA 1.502 2.141 0 C-N-CA 124.046 0.938 . . . . 0.0 111.119 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 35.6 m -95.88 117.01 29.77 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.081 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.68 132.23 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.789 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 11.5 p -101.03 144.37 30.03 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.353 0.408 . . . . 0.0 110.965 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -78.77 -47.55 16.54 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.487 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -148.23 120.22 8.22 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.443 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -133.14 144.51 49.95 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -167.24 127.15 1.53 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 38.2 t -157.39 154.28 28.63 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.548 0.213 . . . . 0.0 110.56 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.74 127.99 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.662 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -109.28 110.01 21.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.092 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -141.72 165.54 27.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.125 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.4 ' CE2' HG13 ' A' ' 20' ' ' VAL . 28.4 m-85 -68.59 137.93 54.67 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.442 0.464 . . . . 0.0 109.936 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.83 143.87 45.74 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.795 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 74.0 mt -129.38 152.94 48.38 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.3 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 700' ' ' ARG . . . . . 0.587 ' HD3' HD11 ' A' ' 82' ' ' LEU . 86.0 mtm180 -60.18 -43.6 95.74 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.731 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 27.9 t -117.47 141.1 48.74 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.752 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 44.6 t -144.44 140.45 28.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.67 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -119.66 105.41 11.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.611 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 96.2 mmm -64.34 -39.66 94.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.579 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -65.34 144.15 57.29 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.501 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 110.36 -8.36 30.68 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.907 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . 67.22 -74.48 0.07 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 117.387 0.593 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.392 -179.532 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -98.26 155.56 17.13 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -88.79 130.22 35.41 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.811 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -79.93 105.27 11.08 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.281 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -96.93 18.49 14.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.134 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.1 m -58.52 -42.4 87.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.646 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.9 mt -68.18 -42.25 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.601 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -63.96 -43.41 95.86 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.927 -0.578 . . . . 0.0 112.01 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 14' ' ' SER . 13.7 p -64.61 -35.78 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -56.59 -43.35 79.99 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.257 0.348 . . . . 0.0 110.234 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -60.23 -43.59 95.92 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.48 0.487 . . . . 0.0 109.926 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.467 HG13 ' CE2' ' C' ' 697' ' ' TYR . 77.8 t -64.71 -41.8 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.546 ' HA ' HG12 ' A' ' 24' ' ' VAL . 28.9 tp -59.75 -36.6 76.96 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.653 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.93 -37.03 85.92 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.489 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -38.26 26.5 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -178.158 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.2 p -80.16 -32.9 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.653 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -163.62 80.86 1.51 Allowed Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.197 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.98 -33.38 42.16 Favored 'Trans proline' 0 N--CA 1.504 2.112 0 C-N-CA 122.229 1.953 . . . . 0.0 112.762 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.63 -38.93 87.96 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.407 0.442 . . . . 0.0 111.791 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 m -91.93 131.88 36.92 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.514 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.41 177.31 30.84 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.469 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 16.3 tt -130.41 138.48 53.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.924 0.393 . . . . 0.0 110.067 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.3 p -75.53 157.04 34.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.196 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m -61.32 -34.57 75.46 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 123.651 0.78 . . . . 0.0 109.969 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.7 -41.08 88.6 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.294 0.638 . . . . 0.0 110.411 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 30' ' ' ILE . . . -63.22 -34.77 78.37 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 mtt -62.89 -42.93 99.95 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.343 0.402 . . . . 0.0 110.519 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.96 99.32 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.491 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.74 -44.13 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.46 ' CE ' HG23 ' A' ' 148' ' ' THR . 27.2 mtp -64.71 -38.69 91.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.031 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.36 -42.35 98.89 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.153 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 82.9 p -68.04 -36.55 80.08 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.458 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -61.52 -44.28 97.35 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.735 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 38' ' ' MET . 84.4 t -61.52 -45.29 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -63.47 -40.67 97.73 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.322 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -59.42 -46.59 88.29 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.506 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.55 -40.06 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.24 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.489 ' CD1' HD21 ' A' ' 140' ' ' LEU . 87.4 t80 -56.62 -46.33 81.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.23 -40.62 94.32 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.276 0.36 . . . . 0.0 111.88 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.99 -46.34 81.85 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.21 0.319 . . . . 0.0 111.712 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.504 HG21 HD13 ' A' ' 140' ' ' LEU . 94.4 mt -66.26 -42.89 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.37 93.97 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.327 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.58 -45.41 93.1 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.534 -0.627 . . . . 0.0 111.534 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -65.89 -40.02 91.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.27 -40.42 93.88 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.338 0.399 . . . . 0.0 110.397 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -61.8 -42.82 99.5 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.282 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -61.16 -41.93 97.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.324 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.89 -41.59 97.67 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.496 0.498 . . . . 0.0 110.596 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.35 97.63 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -64.74 -43.51 93.12 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.972 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -62.11 -40.12 94.81 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.064 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -88.57 3.56 49.97 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 53.22 34.72 18.22 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.83 0.347 . . . . 0.0 111.344 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -89.77 122.92 33.31 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.458 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.7 p -69.56 -33.5 72.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.319 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.416 HG21 ' NH2' ' A' ' 131' ' ' ARG . 26.2 m -117.63 131.28 56.68 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.956 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.0 mt -81.61 133.83 28.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.5 p -125.53 178.02 5.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.049 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.7 p -56.19 -32.64 64.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.831 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -61.18 -43.86 98.21 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.147 0.279 . . . . 0.0 110.976 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -65.65 -43.09 90.48 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.136 0.273 . . . . 0.0 110.469 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.464 HD11 ' HB1' ' A' ' 136' ' ' ALA . 91.9 mt -65.27 -41.56 91.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.891 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.442 HE22 HG22 ' A' ' 87' ' ' VAL . 65.5 tp60 -54.35 -45.45 72.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.627 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.2 m -64.06 -43.4 95.58 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.224 0.328 . . . . 0.0 110.719 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.65 94.85 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.858 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.78 -43.69 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.432 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -61.5 -38.93 89.11 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.282 0.364 . . . . 0.0 111.21 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.1 mt -77.82 -31.05 51.43 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.8 mt -81.26 -36.54 29.8 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.9 149.31 35.59 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -56.71 168.21 2.45 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.385 2.057 . . . . 0.0 111.697 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.17 87.34 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 116.415 -0.357 . . . . 0.0 112.837 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -65.12 -45.85 83.4 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.864 0.332 . . . . 0.0 111.525 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.67 -36.69 85.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.371 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.58 -39.89 81.64 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.328 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.04 -45.82 91.55 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.139 0.274 . . . . 0.0 110.759 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -70.58 -36.22 73.46 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.31 0.381 . . . . 0.0 111.351 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.99 78.64 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.26 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 83' ' ' ALA . 87.9 t -61.07 -43.43 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 123.275 0.359 . . . . 0.0 110.106 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.9 m -59.74 -47.97 83.54 Favored 'General case' 0 N--CA 1.428 -1.561 0 O-C-N 123.987 0.805 . . . . 0.0 109.012 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -62.88 -45.99 89.97 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.335 1.454 . . . . 0.0 111.824 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.43 -46.76 54.66 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.1 m -63.4 -45.64 90.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.632 0.253 . . . . 0.0 110.697 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.89 -37.4 84.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.825 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.84 98.08 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.198 0.311 . . . . 0.0 110.404 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.4 -45.76 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.2 p -65.56 -40.24 92.6 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.3 -36.44 80.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.41 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.06 -49.68 76.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.8 m -70.93 -41.16 71.54 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.211 0.319 . . . . 0.0 111.699 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 p -76.87 -15.33 59.73 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 124.789 1.236 . . . . 0.0 111.504 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.7 t -51.53 -67.42 0.25 Allowed 'General case' 0 C--N 1.357 0.926 0 C-N-CA 123.427 0.691 . . . . 0.0 110.577 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.96 27.05 0.24 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.866 0.365 . . . . 0.0 111.171 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -149.66 21.43 0.91 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.321 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB1' ' OG ' ' A' ' 108' ' ' SER . . . -136.92 151.5 49.13 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.296 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -101.14 -45.73 5.28 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.061 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.4 p -82.48 163.15 21.78 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -66.33 -43.97 84.66 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.837 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.1 m -63.26 -41.85 99.09 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.577 ' OG ' ' HB1' ' A' ' 103' ' ' ALA . 39.8 p -62.48 -40.98 98.43 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.229 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.555 ' HG2' ' HB3' ' A' ' 103' ' ' ALA . 77.5 mtp85 -65.92 -35.45 80.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.797 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.32 -26.66 35.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.37 33.98 61.04 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.8 mt -108.22 134.22 51.37 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.61 0.243 . . . . 0.0 110.406 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -62.19 -44.07 97.41 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -63.42 141.33 97.84 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.756 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.74 101.71 0.33 Allowed 'Trans proline' 0 N--CA 1.502 1.993 0 C-N-CA 122.144 1.896 . . . . 0.0 112.033 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.455 HG11 HG22 ' A' ' 138' ' ' VAL . 59.9 t -65.13 -43.47 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.235 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.92 -41.21 83.78 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.82 -35.48 80.81 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.509 0.155 . . . . 0.0 111.283 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.57 -44.8 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -60.2 -41.91 93.98 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.33 0.394 . . . . 0.0 110.766 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -66.41 -41.05 89.85 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.12 -41.27 96.41 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.598 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.69 -44.92 95.94 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.172 0.295 . . . . 0.0 110.692 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -67.96 -41.57 82.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.244 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.72 -40.71 98.03 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.489 0.493 . . . . 0.0 110.561 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.77 -4.07 31.36 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 121.31 -0.472 . . . . 0.0 111.968 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 63.6 t30 57.99 31.14 20.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.906 0.353 . . . . 0.0 111.5 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -64.9 -40.41 95.04 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.395 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.8 p -150.6 163.43 38.52 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.665 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.91 -40.12 91.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.416 ' NH2' HG21 ' A' ' 64' ' ' THR . 63.1 ttp85 -137.88 148.29 45.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.4 t -125.71 137.34 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -79.03 -177.95 50.32 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -93.73 -40.78 10.04 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.48 91.5 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.713 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -59.79 -60.06 11.82 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.654 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 42.8 Cg_exo -53.72 -38.93 85.17 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.787 1.658 . . . . 0.0 111.411 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 134' ' ' ALA . 98.1 t -64.73 -44.15 96.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 143' ' ' VAL . 35.4 t80 -60.85 -48.39 82.03 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.824 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.504 HD13 HG21 ' A' ' 49' ' ' ILE . 35.4 tp -62.66 -41.75 99.23 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.775 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.43 89.06 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.475 0.485 . . . . 0.0 111.072 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.64 90.65 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.318 0.386 . . . . 0.0 111.307 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 139' ' ' TYR . 92.9 t -62.16 -44.92 99.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.268 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.32 -41.87 98.9 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.418 0.449 . . . . 0.0 110.812 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.407 ' OE1' HG21 ' A' ' 20' ' ' VAL . 14.2 tp10 -61.19 -38.9 88.19 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.344 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -60.6 -48.54 81.33 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.401 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.76 -42.01 98.43 Favored 'General case' 0 C--N 1.334 -0.083 0 O-C-N 123.492 0.495 . . . . 0.0 110.932 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.46 HG23 ' CE ' ' A' ' 38' ' ' MET . 19.8 m -59.64 -44.03 93.64 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.364 0.415 . . . . 0.0 110.919 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.19 97.06 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.385 0.428 . . . . 0.0 111.543 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -70.08 -37.63 75.49 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.254 0.346 . . . . 0.0 111.364 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 16.2 mm -61.11 -45.22 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.462 HD22 HD13 ' A' ' 21' ' ' LEU . 89.1 mt -69.0 -39.76 79.14 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.389 0.431 . . . . 0.0 111.917 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.69 -48.69 78.16 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.179 0.3 . . . . 0.0 110.757 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.501 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 79.3 mt -64.62 -41.55 96.1 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.333 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.75 88.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.366 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -59.48 -41.54 97.18 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.31 -42.78 99.66 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.71 -38.58 91.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.039 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.12 98.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.99 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -63.0 -38.09 89.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.203 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -63.8 -33.73 76.34 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -89.84 9.71 26.46 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.69 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 57.31 34.34 24.59 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.872 0.368 . . . . 0.0 111.337 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -115.03 151.04 34.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 21.6 p -108.61 16.63 22.76 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.265 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -129.48 153.0 48.41 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.729 0.3 . . . . 0.0 110.727 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 67.7 mt -103.94 118.24 50.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.4 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 24.3 pt -119.39 166.46 14.5 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.166 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 169' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 58.1 Cg_exo -51.46 -36.48 59.03 Favored 'Trans proline' 0 N--CA 1.5 1.902 0 C-N-CA 122.232 1.954 . . . . 0.0 112.266 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -61.09 -42.36 98.38 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -66.38 -41.28 89.63 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.461 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.72 -44.15 97.47 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.464 0.478 . . . . 0.0 111.066 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -67.56 -42.17 83.04 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.204 0.315 . . . . 0.0 110.66 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.17 -43.77 98.09 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.898 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -61.45 -39.46 90.92 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.417 HG22 ' OD1' ' A' ' 183' ' ' ASN . 97.4 mt -64.79 -43.6 96.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.007 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -61.59 -31.94 72.03 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.398 0.437 . . . . 0.0 111.213 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.68 -15.76 60.27 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.196 0.31 . . . . 0.0 111.573 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -110.95 114.96 28.67 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.38 -37.51 85.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.566 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -63.31 -47.06 83.86 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.368 0.418 . . . . 0.0 111.093 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 68.5 mt -64.47 -39.16 93.29 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.228 0.33 . . . . 0.0 110.42 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ASN . . . . . 0.417 ' OD1' HG22 ' A' ' 176' ' ' ILE . 91.8 m-20 -61.56 -41.75 97.83 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.245 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -63.68 -44.66 93.08 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.103 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.5 tp -64.68 -41.43 96.06 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.443 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 80.5 mt -98.58 20.75 12.3 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.157 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.23 -34.26 62.54 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.25 4.38 52.41 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 87.9 t -124.32 128.33 73.71 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 7.5 t -124.23 139.06 54.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.656 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 63.2 mt -120.43 128.83 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -142.35 176.39 9.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.578 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -57.3 121.96 11.4 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.14 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.704 0 CA-C-O 117.975 -1.458 . . . . 0.0 111.043 -179.773 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.1 ptt? . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -104.89 141.5 36.42 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.959 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.421 HD12 HD12 ' B' ' 67' ' ' LEU . 40.7 pt -131.75 156.59 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 123.642 0.589 . . . . 0.0 109.871 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -108.05 143.24 37.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.809 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -121.36 128.47 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -115.81 149.64 38.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.223 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 70.5 p -120.59 161.19 21.76 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.241 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.37 -19.27 65.37 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 46.6 p -69.9 -24.1 63.35 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 119.973 -1.704 . . . . 0.0 111.281 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.28 7.93 34.24 Favored Glycine 0 C--N 1.357 1.712 0 CA-C-N 119.329 0.968 . . . . 0.0 112.656 -174.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -86.75 152.62 22.36 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 117.208 0.504 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.9 m -133.26 126.3 31.18 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.23 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 pt -128.02 134.0 66.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -85.56 142.03 29.43 Favored 'General case' 0 N--CA 1.432 -1.341 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.68 HD11 ' HB3' ' B' ' 29' ' ' LYS . 15.9 tp -137.6 140.83 41.18 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 122.062 -0.399 . . . . 0.0 110.782 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -111.88 117.14 31.95 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.338 0.399 . . . . 0.0 110.068 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.56 162.31 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.212 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -99.35 153.84 37.58 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.84 -36.07 98.59 Favored 'Trans proline' 0 N--CA 1.503 2.05 0 C-N-CA 122.311 2.007 . . . . 0.0 112.306 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 98.5 p -78.79 -12.42 60.02 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -65.95 139.42 58.25 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.703 0.287 . . . . 0.0 110.377 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 17.9 p -77.58 159.75 29.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.84 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -62.51 -42.21 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.887 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -55.28 -39.63 70.07 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -64.33 -39.72 94.47 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.45 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.24 -44.14 97.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.694 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.29 -37.32 80.15 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.377 0.423 . . . . 0.0 111.143 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.99 97.14 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.634 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.68 ' HB3' HD11 ' B' ' 15' ' ' LEU . 98.8 mttt -63.47 -39.7 95.15 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.234 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.423 HG22 HE22 ' B' ' 41' ' ' GLN . 89.1 mt -62.91 -41.85 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -37.58 68.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.99 -40.64 95.26 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.816 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -78.79 -42.79 26.97 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -84.92 -39.58 18.02 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 125.67 1.588 . . . . 0.0 113.561 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.09 23.01 42.67 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.134 0.874 . . . . 0.0 112.029 -170.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -107.18 136.59 19.49 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-O 119.259 -0.4 . . . . 0.0 109.987 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.76 130.64 40.04 Favored 'Trans proline' 0 N--CA 1.504 2.129 0 C-N-CA 122.222 1.948 . . . . 0.0 112.181 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.28 -29.84 54.69 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.194 1.93 . . . . 0.0 112.807 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -66.57 -34.7 78.48 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 118.032 -1.467 . . . . 0.0 108.677 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -89.12 8.48 29.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.937 -171.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.423 HE22 HG22 ' B' ' 30' ' ' ILE . 80.2 mt-30 -107.28 142.35 37.19 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -117.56 132.86 56.46 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.621 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 44.6 mt -110.34 136.47 49.47 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.608 HD11 HD12 ' C' ' 676' ' ' LEU . 89.5 mt -125.44 132.74 70.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.581 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -127.41 130.96 50.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.5 14.54 9.77 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.002 0.189 . . . . 0.0 111.016 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.11 0.72 86.97 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 119.785 -0.453 . . . . 0.0 112.987 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -108.72 135.91 49.16 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -55.42 151.12 10.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.648 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -107.19 153.33 22.84 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -95.91 124.33 39.87 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.008 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.42 -35.23 79.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.004 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.06 -17.05 80.29 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 116.07 -0.514 . . . . 0.0 113.405 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -91.49 162.65 14.46 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.29 0.545 . . . . 0.0 111.086 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.4 p -94.7 168.24 10.95 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.9 -41.65 99.51 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.3 p -59.22 -28.35 66.59 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.621 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.15 -36.27 74.96 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.145 0.278 . . . . 0.0 111.312 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -92.08 12.54 21.69 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 57.52 37.42 27.67 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.983 0.42 . . . . 0.0 111.353 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.3 mt -73.21 130.77 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -108.14 -177.64 3.39 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.632 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -60.56 147.15 42.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.15 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 53.76 83.65 0.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 110.378 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -129.62 142.29 50.77 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.431 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 23.9 m -99.96 123.63 44.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.547 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.421 HD12 HD12 ' B' ' 3' ' ' ILE . 83.8 mt -115.81 126.32 53.85 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.332 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -85.16 147.13 26.77 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.433 0.458 . . . . 0.0 109.831 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 24.0 tp -113.32 134.09 54.8 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.139 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.565 HG22 ' HB1' ' C' ' 673' ' ' ALA . 21.7 t -132.36 162.52 39.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.617 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.475 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.1 tp -101.86 124.01 46.76 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -87.03 134.52 33.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.556 HD12 ' C ' ' C' ' 680' ' ' PHE . 43.2 mt -126.13 -4.38 6.83 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.73 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -62.13 -43.36 99.01 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 110.507 -0.182 . . . . 0.0 110.507 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.18 -176.67 26.49 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.714 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -129.43 133.71 47.47 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.588 0.232 . . . . 0.0 110.614 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 96.5 mtp -99.79 21.11 12.98 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.179 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -57.66 0.56 Allowed Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.509 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.37 -19.61 61.59 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.21 1.94 . . . . 0.0 113.146 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.436 HG12 ' HE1' ' C' ' 659' ' ' MET . 50.3 t -63.41 -43.13 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.542 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 28.8 mt -61.2 -43.35 99.02 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -64.28 -39.04 93.12 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.185 0.303 . . . . 0.0 110.682 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.63 -40.33 84.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.542 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 73.4 mtm -64.1 -40.37 96.08 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.435 0.46 . . . . 0.0 110.722 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.57 -43.09 99.5 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 123.262 0.351 . . . . 0.0 110.634 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -62.37 -42.72 99.63 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.401 0.438 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.59 -42.11 98.3 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 37.2 mt -62.99 -39.55 95.09 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.428 0.455 . . . . 0.0 111.058 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.63 -41.49 97.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.786 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.96 -39.04 93.24 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.412 0.445 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.09 -45.26 89.44 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.399 0.437 . . . . 0.0 110.286 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.25 -32.59 74.1 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.473 0.483 . . . . 0.0 111.128 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -59.56 -46.52 88.65 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -35.21 80.06 Favored 'General case' 0 C--O 1.225 -0.216 0 O-C-N 123.596 0.56 . . . . 0.0 110.285 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 -65.72 -39.94 91.69 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 123.381 0.426 . . . . 0.0 111.392 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.91 -47.22 78.55 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.214 0.321 . . . . 0.0 110.439 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.487 ' C ' HD13 ' C' ' 672' ' ' LEU . 2.8 tm? -68.34 -40.48 81.53 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 109.867 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.565 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -62.57 -38.85 91.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.305 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.95 -36.59 81.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.641 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.54 -44.07 97.25 Favored 'General case' 0 C--N 1.341 0.206 0 O-C-N 123.55 0.531 . . . . 0.0 109.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.608 HD12 HD11 ' B' ' 44' ' ' ILE . 91.1 mt -63.82 -42.8 97.57 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -60.37 -41.28 93.43 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.23 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -70.0 -43.53 71.19 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.34 0.4 . . . . 0.0 111.481 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 61.4 mtm -64.48 -44.73 90.07 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.324 0.39 . . . . 0.0 111.443 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.556 ' C ' HD12 ' B' ' 73' ' ' LEU . 31.3 m-85 -65.4 -41.7 93.4 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.886 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 681' ' ' ASP . . . . . 0.464 ' OD1' HD11 ' B' ' 73' ' ' LEU . 1.2 m-20 -68.05 -36.16 79.44 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.42 0.45 . . . . 0.0 110.639 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -65.5 -42.49 92.07 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.408 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -55.44 -35.03 65.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.473 ' CD ' HD13 ' B' ' 73' ' ' LEU . 78.8 mtm180 -60.5 -45.31 94.27 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.853 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 178.07 153.27 0.31 Allowed 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.52 0.513 . . . . 0.0 110.342 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 6.2 t -108.47 125.31 51.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.257 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.98 130.27 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.783 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 12.1 t -61.34 -42.42 98.66 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -56.32 126.0 24.37 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.2 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -102.28 -43.21 5.77 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.604 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -96.85 139.7 32.5 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.601 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 164.87 121.17 0.55 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 65.2 p -148.83 152.92 37.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.511 0.196 . . . . 0.0 110.656 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 35.5 m -136.55 161.27 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -71.23 150.78 44.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.37 -49.93 75.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.452 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.467 ' CE2' HG13 ' A' ' 20' ' ' VAL . 38.9 m-85 -119.64 136.38 54.42 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.334 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 19.2 tp -75.31 135.89 40.88 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 78.2 mt -117.01 154.12 31.47 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.32 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -60.47 -41.07 93.42 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.965 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 93.7 p -92.01 25.47 2.82 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.006 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 15.5 p -83.43 175.9 9.48 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.977 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 56.2 t30 57.53 47.82 15.48 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.721 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 99.4 mtp -81.84 90.77 6.43 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.195 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -65.6 -36.15 82.89 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.116 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 81.4 9.81 85.38 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -144.57 147.54 33.29 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 116.872 0.336 . . . . 0.0 110.395 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 65.1 mttp . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.515 179.817 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.52 -43.71 98.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.772 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -93.33 143.77 25.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.133 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.3 m -103.39 83.58 2.19 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.428 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -93.85 13.54 22.25 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.345 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.407 ' O ' HG12 ' A' ' 17' ' ' VAL . 87.3 p -58.0 -41.21 82.58 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 110.153 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.61 -42.51 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -62.68 -45.2 93.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.93 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 14' ' ' SER . 9.4 p -63.48 -36.74 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -56.44 -42.65 78.48 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.851 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.33 -42.75 99.63 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.229 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.457 HG13 ' CE2' ' C' ' 697' ' ' TYR . 54.3 t -59.84 -43.85 92.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.82 -35.68 77.13 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.865 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.03 -39.17 93.96 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -75.0 -35.67 61.99 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.496 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.67 -42.11 25.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.822 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -156.9 88.17 2.7 Favored Pre-proline 0 CA--C 1.55 0.962 0 O-C-N 123.376 0.423 . . . . 0.0 110.316 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -55.61 -37.78 94.89 Favored 'Trans proline' 0 N--CA 1.504 2.119 0 C-N-CA 122.565 2.177 . . . . 0.0 112.963 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -65.48 -40.14 92.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.5 p -69.54 134.87 49.36 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.883 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.07 166.77 12.33 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 tt -138.51 137.55 43.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.771 0.32 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.7 p -79.07 161.51 26.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.281 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -62.63 -34.16 76.49 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 123.262 0.625 . . . . 0.0 109.941 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -67.23 -42.21 84.38 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 123.224 0.61 . . . . 0.0 110.153 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB2' ' HA ' ' A' ' 168' ' ' ILE . . . -63.74 -35.63 81.22 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.2 mtp -62.47 -40.57 97.08 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.96 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.61 -36.96 94.03 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.6 mm -61.23 -43.93 97.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.16 -37.08 86.17 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.633 0.583 . . . . 0.0 110.297 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -60.72 -42.75 97.92 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.402 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -62.57 -37.18 85.16 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.484 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -61.64 -45.3 94.62 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.5 t -61.82 -44.96 99.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 123.405 0.44 . . . . 0.0 109.873 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -63.13 -41.14 99.25 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.293 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.78 -44.55 89.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.497 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.558 HG22 HD12 ' A' ' 49' ' ' ILE . 37.2 mm -65.37 -42.54 93.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.965 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -57.61 -47.14 83.01 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -65.32 -44.27 88.36 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.74 -48.64 76.19 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.271 0.357 . . . . 0.0 111.668 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.558 HD12 HG22 ' A' ' 45' ' ' ILE . 96.7 mt -65.21 -42.98 95.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 123.347 0.405 . . . . 0.0 109.94 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.7 81.21 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.224 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.17 -41.1 97.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -66.44 -42.41 87.7 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.98 91.99 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.449 0.468 . . . . 0.0 110.659 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -61.99 -43.31 99.11 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.464 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -62.99 -40.01 96.47 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.47 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.99 -40.4 97.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.706 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB2' ' OE1' ' A' ' 69' ' ' GLU . . . -61.58 -38.34 87.18 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.362 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -64.99 -42.06 94.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.243 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -61.88 -42.4 99.02 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.88 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -89.86 2.44 54.99 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.864 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.1 tttt 53.18 30.24 9.54 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.698 0.285 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -84.25 121.69 27.85 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.4 p -66.48 -38.26 86.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.416 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -109.57 129.49 55.57 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.971 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.4 mt -77.87 136.62 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.4 p -124.18 176.19 6.56 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.14 0.495 . . . . 0.0 111.562 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.9 m -57.87 -33.03 68.25 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.677 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.34 -41.06 92.81 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.227 0.33 . . . . 0.0 111.005 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.539 ' OE1' ' HB2' ' A' ' 57' ' ' ALA . 48.3 mt-10 -66.48 -43.92 84.12 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.273 0.358 . . . . 0.0 110.337 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 74' ' ' VAL . 86.6 mt -64.68 -42.49 95.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -56.74 -43.36 80.62 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.963 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -62.92 -45.21 93.55 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.211 0.319 . . . . 0.0 110.385 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.8 92.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.707 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 70' ' ' ILE . 73.6 t -63.67 -45.24 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -63.69 -39.26 93.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.159 0.287 . . . . 0.0 111.542 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.0 mt -71.67 -33.35 68.78 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.7 mt -85.03 -36.56 21.18 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 78' ' ' LEU . 8.8 mp -95.3 140.32 22.35 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.24 -179.88 0.07 OUTLIER 'Trans proline' 0 N--CA 1.505 2.151 0 C-N-CA 122.477 2.118 . . . . 0.0 111.669 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.46 -47.31 88.48 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.979 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.24 -48.51 75.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.7 0.25 . . . . 0.0 111.578 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.432 HD22 ' HD3' ' C' ' 700' ' ' ARG . 4.5 mm? -66.6 -40.39 88.82 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.343 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -60.57 -40.43 91.66 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 123.381 0.426 . . . . 0.0 111.576 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.26 -45.76 92.15 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.234 0.334 . . . . 0.0 110.691 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -68.69 -37.56 79.66 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.456 0.473 . . . . 0.0 111.241 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.19 90.44 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 83' ' ' ALA . 97.9 t -62.85 -43.24 98.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 O-C-N 123.337 0.398 . . . . 0.0 110.206 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.1 t -62.89 -49.16 75.92 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.79 -45.99 80.35 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 123.664 0.785 . . . . 0.0 112.279 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.61 -47.2 50.92 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.637 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.1 m -63.88 -48.57 76.16 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.435 0.16 . . . . 0.0 111.118 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -66.11 -34.6 78.41 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.204 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.1 -42.01 84.76 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 99.7 t -65.82 -45.38 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.1 m -61.29 -41.99 97.9 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.142 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.42 -41.34 93.74 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.31 -45.48 93.02 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.6 p -68.35 -35.2 77.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.234 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.5 m -72.82 -53.12 12.35 Favored 'General case' 0 CA--C 1.497 -1.078 0 O-C-N 119.677 -1.89 . . . . 0.0 111.715 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -62.73 138.57 58.54 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 120.692 0.282 . . . . 0.0 110.979 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.61 -29.59 1.52 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.774 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.2 p -63.13 -33.26 75.08 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.592 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.597 ' HB3' ' HG2' ' A' ' 109' ' ' ARG . . . -65.77 132.02 47.7 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.091 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -99.74 -13.23 19.38 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.514 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.4 m -103.48 148.0 26.47 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.316 0.246 . . . . 0.0 110.429 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.28 -42.29 99.08 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.985 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.0 p -68.63 -36.83 79.14 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.0 m -63.1 -41.03 99.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.597 ' HG2' ' HB3' ' A' ' 103' ' ' ALA . 82.8 mtt85 -64.34 -34.8 78.99 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.607 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.49 -26.84 29.86 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.387 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.04 40.48 72.74 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.0 mt -117.2 136.93 52.69 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -62.95 -42.8 99.93 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.359 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -63.71 143.14 98.06 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 119' ' ' VAL . 34.2 Cg_endo -65.99 102.63 0.55 Allowed 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.191 1.927 . . . . 0.0 112.157 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 138' ' ' VAL . 86.3 t -64.1 -42.05 94.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.381 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.35 -42.46 95.63 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.87 -36.51 84.57 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.544 0.172 . . . . 0.0 111.38 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 115' ' ' PRO . 98.2 t -59.39 -44.05 91.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -59.88 -46.4 89.45 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.293 0.371 . . . . 0.0 111.019 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -64.19 -38.42 91.0 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.804 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.79 -41.83 98.23 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.572 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.27 -44.55 97.05 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.27 0.356 . . . . 0.0 110.831 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -65.79 -36.69 84.24 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.616 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -63.0 -40.21 97.09 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.179 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.12 -7.98 15.52 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 57.07 29.63 16.84 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.961 0.381 . . . . 0.0 111.544 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -65.16 -42.9 93.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.271 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.2 p -142.21 166.14 25.5 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.18 -38.11 87.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -137.58 156.68 47.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.961 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.1 t -131.5 136.5 57.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.92 176.48 54.64 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -86.08 -42.67 13.73 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.52 -0.34 . . . . 0.0 110.701 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.75 -29.86 75.19 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 111.62 -0.592 . . . . 0.0 111.62 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.481 ' HB3' ' CD ' ' A' ' 137' ' ' PRO . . . -59.4 -61.44 7.84 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.815 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.481 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 19.2 Cg_endo -60.05 -32.33 94.69 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 121.855 1.704 . . . . 0.0 111.81 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 134' ' ' ALA . 90.8 t -65.58 -45.12 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.9 -47.04 86.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.096 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.16 -42.9 99.71 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.518 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.37 87.28 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.06 95.78 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.291 0.37 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.2 t -66.12 -43.46 92.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.96 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.99 -41.93 98.58 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -61.13 -43.77 98.37 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.43 0.456 . . . . 0.0 110.144 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -62.69 -46.66 87.13 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.203 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.56 -40.29 94.21 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.031 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.7 m -63.05 -45.23 93.21 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.399 0.437 . . . . 0.0 110.936 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.01 89.53 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.705 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -67.94 -42.22 81.34 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.217 0.323 . . . . 0.0 111.613 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.22 -43.41 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.094 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.95 -40.21 94.78 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.561 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.558 ' CD ' HD22 ' C' ' 699' ' ' LEU . 21.2 tt0 -60.87 -45.76 93.27 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.219 0.324 . . . . 0.0 110.434 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.655 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 59.6 mt -64.52 -39.99 94.79 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.433 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.493 ' HB2' HD23 ' A' ' 172' ' ' LEU . . . -60.59 -38.02 83.27 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.569 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.84 -40.44 97.3 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -61.56 -44.26 97.36 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 121.284 -0.166 . . . . 0.0 110.621 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.35 86.11 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.294 0.371 . . . . 0.0 110.145 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -60.08 -42.36 94.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.045 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.06 -37.97 87.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.287 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.84 -34.64 78.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.528 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -90.79 7.11 41.41 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.588 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 19.0 tttm 56.77 33.65 23.35 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.868 0.366 . . . . 0.0 111.242 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.766 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 98.3 mttt -126.61 116.74 21.49 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.649 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 41.1 p -68.96 -32.66 72.4 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.083 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -70.0 145.61 51.66 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.622 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 63.0 mt -107.94 122.46 62.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.442 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 25.4 pt -122.62 163.67 31.28 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.035 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.92 -36.81 20.91 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 C-N-CA 122.288 1.992 . . . . 0.0 112.399 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 74.3 ttp85 -62.55 -43.21 99.38 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -64.07 -45.01 90.63 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.506 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 155' ' ' ALA . 63.6 mt -61.65 -40.81 96.22 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.19 -42.85 99.41 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.351 0.407 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.59 -41.65 98.34 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.036 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.655 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -60.82 -43.95 97.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.94 -43.64 96.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.21 -32.61 73.29 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.439 0.462 . . . . 0.0 111.312 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -75.75 -11.64 60.03 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 123.269 0.356 . . . . 0.0 111.613 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -112.47 115.8 29.24 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -64.46 -36.48 84.31 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.529 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -65.16 -45.5 84.69 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.347 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.99 -38.1 85.41 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.99 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -59.24 -43.15 92.38 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -63.29 -42.58 99.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.165 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.18 -41.28 97.16 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.484 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 78.5 mt -98.76 19.26 15.15 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.093 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.98 -41.19 84.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -96.61 13.23 28.92 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 64.8 t -120.05 128.22 75.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 30.5 m -110.12 121.3 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.799 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 45.5 mm -63.24 -47.53 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.952 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . 178.52 98.46 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.714 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -146.15 156.26 43.3 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.095 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 CA-C-O 117.919 -1.489 . . . . 0.0 110.88 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -102.64 129.73 49.32 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.671 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -135.89 147.04 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 123.719 0.637 . . . . 0.0 110.063 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -107.77 141.78 38.8 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -123.27 128.59 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -114.09 151.37 32.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.36 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.7 p -119.57 162.1 19.49 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.38 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.61 -19.31 64.75 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.952 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.2 p -70.07 -24.7 63.28 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 119.708 -1.87 . . . . 0.0 111.488 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.22 15.51 19.39 Favored Glycine 0 C--N 1.357 1.736 0 O-C-N 121.001 -1.062 . . . . 0.0 112.644 -174.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -95.51 153.21 17.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 117.099 0.449 . . . . 0.0 110.112 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -127.3 130.27 49.23 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.204 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.419 HD11 ' HD2' ' B' ' 33' ' ' LYS . 13.4 tt -127.04 134.63 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.7 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -85.06 133.18 34.24 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 tp -143.86 138.68 28.8 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 121.903 -0.498 . . . . 0.0 110.757 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -111.45 119.56 39.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.622 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.478 HG11 HG22 ' B' ' 26' ' ' VAL . 34.1 m -136.33 161.32 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.169 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -97.99 152.07 37.87 Favored Pre-proline 0 CA--C 1.544 0.737 0 O-C-N 123.234 0.334 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.38 -31.16 84.26 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.432 2.088 . . . . 0.0 112.599 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.3 m -81.95 -12.89 58.14 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -67.24 143.83 56.28 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 120.668 0.27 . . . . 0.0 110.614 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 22.0 p -82.11 160.74 23.07 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.856 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.6 -41.69 92.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.626 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -56.16 -39.76 72.81 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.303 0.377 . . . . 0.0 110.16 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -63.47 -41.48 98.59 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.297 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.478 HG22 HG11 ' B' ' 17' ' ' VAL . 93.8 t -62.63 -46.38 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.852 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.4 -36.28 81.85 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.93 89.86 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.319 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -63.53 -40.06 96.04 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.068 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.19 -42.78 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -57.55 -36.77 72.07 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -67.43 -35.39 79.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.179 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.419 ' HD2' HD11 ' B' ' 13' ' ' ILE . 99.6 mttt -87.3 -35.39 18.47 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -92.07 -40.7 10.92 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.017 2.127 . . . . 0.0 114.747 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.63 30.36 27.14 Favored Glycine 0 C--N 1.352 1.436 0 C-N-CA 125.113 1.34 . . . . 0.0 112.141 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.1 mt -113.01 123.42 33.64 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-O 119.086 -0.483 . . . . 0.0 109.756 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -44.7 133.77 10.2 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.036 1.824 . . . . 0.0 112.36 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.75 -29.11 51.26 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.184 1.923 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -67.83 -31.38 71.18 Favored 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 120.181 -1.574 . . . . 0.0 109.133 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -83.96 10.76 9.06 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 122.046 -0.409 . . . . 0.0 111.545 -175.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -128.22 139.52 52.41 Favored 'General case' 0 C--N 1.346 0.435 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -117.69 136.03 53.62 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.703 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -103.69 130.45 51.17 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.437 HD11 HG21 ' B' ' 70' ' ' VAL . 87.0 mt -116.99 133.66 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.053 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -126.61 124.58 40.24 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.85 27.75 17.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.399 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.89 14.96 78.66 Favored Glycine 0 CA--C 1.537 1.408 0 N-CA-C 112.105 -0.398 . . . . 0.0 112.105 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 25.7 mtpt -117.28 130.74 56.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 117.166 0.483 . . . . 0.0 110.031 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -68.58 159.24 32.32 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.503 0.502 . . . . 0.0 110.054 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 78.8 mt -122.65 138.99 54.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -88.2 144.85 26.21 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.591 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -65.53 -25.65 67.54 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.079 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.51 -1.64 85.59 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-O 119.791 -0.449 . . . . 0.0 113.17 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -103.56 161.54 13.8 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 117.363 0.581 . . . . 0.0 111.04 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -103.29 164.58 11.55 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.665 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.0 -42.44 99.85 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.234 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.0 m -59.06 -29.22 67.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.606 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.7 -37.82 76.95 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.085 0.241 . . . . 0.0 111.327 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -92.76 11.78 25.74 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 53.07 56.69 7.18 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.097 0.475 . . . . 0.0 111.024 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.1 mt -95.47 126.69 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -90.05 -175.14 4.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.904 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.23 147.2 52.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.077 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 54.74 86.8 0.05 OUTLIER 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.281 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.2 t -130.85 148.72 52.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.1 m -97.41 118.68 34.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.212 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 45.0 mt -111.27 124.23 51.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.962 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -85.68 147.69 26.24 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.081 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.49 133.95 53.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.024 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.477 HG12 ' N ' ' B' ' 71' ' ' LEU . 22.8 t -132.42 162.24 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.617 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.477 ' N ' HG12 ' B' ' 70' ' ' VAL . 12.7 tp -107.35 115.05 29.48 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.675 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -80.9 131.96 35.4 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.653 HD13 ' HD3' ' C' ' 684' ' ' ARG . 34.5 mt -110.15 -20.67 12.6 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.58 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -62.44 -40.93 98.19 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.619 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.44 -171.21 26.93 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.861 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -90.67 140.24 29.96 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.692 0.282 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 76.9 mtm -84.43 -4.8 59.13 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.048 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.38 -57.62 14.79 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-O 119.264 -0.398 . . . . 0.0 110.875 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -61.97 -23.6 75.99 Favored 'Trans proline' 0 N--CA 1.507 2.322 0 C-N-CA 122.43 2.087 . . . . 0.0 113.131 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.32 -43.97 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.26 -44.14 97.72 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.011 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -66.93 -39.16 87.25 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.092 0.245 . . . . 0.0 110.702 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -65.46 -40.66 93.47 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.82 -39.2 93.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.69 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.99 -40.44 95.66 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.291 0.369 . . . . 0.0 110.287 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.49 -43.06 95.34 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.471 0.482 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.05 -40.62 95.01 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.213 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 24.2 mt -61.48 -40.9 96.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.696 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.14 -41.65 98.48 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.372 0.42 . . . . 0.0 110.221 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -70.33 -33.93 72.08 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.553 0.533 . . . . 0.0 110.824 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.13 -45.76 87.16 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 123.34 0.4 . . . . 0.0 110.337 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.97 -35.34 80.86 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.579 0.55 . . . . 0.0 111.125 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -60.89 -47.08 88.04 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.73 -34.23 77.39 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.182 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -64.36 -37.29 87.0 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.349 0.405 . . . . 0.0 111.11 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -65.63 -48.3 72.69 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.18 0.3 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.506 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -67.3 -41.76 84.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.455 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -61.31 -38.4 86.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.051 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 24.5 tp -62.06 -36.87 82.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.597 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.16 -43.98 97.63 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.03 -43.45 95.55 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -59.98 -42.78 94.94 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.964 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -69.63 -39.84 76.9 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.323 0.389 . . . . 0.0 111.26 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 62.3 mtp -63.06 -44.33 96.12 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.021 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.596 ' C ' HD12 ' B' ' 73' ' ' LEU . 26.5 m-85 -68.03 -40.4 82.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.606 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.5 -34.69 77.65 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.591 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.23 -40.08 92.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -59.61 -34.79 73.21 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.263 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.653 ' HD3' HD13 ' B' ' 73' ' ' LEU . 66.5 mtm180 -65.89 -37.03 85.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.712 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 62.95 108.34 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.876 0.735 . . . . 0.0 110.966 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 5.0 t -144.84 151.56 38.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.391 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 35.8 m -119.03 -18.33 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.016 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 13.7 p -63.86 145.3 56.07 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -138.82 48.59 1.9 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.398 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -97.96 47.32 1.01 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.783 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.68 -40.26 96.54 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 80.31 152.67 8.19 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 11.3 t -63.02 -47.28 83.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.634 0.254 . . . . 0.0 110.512 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 14.4 p -160.71 151.8 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -121.5 -69.12 0.85 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.951 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 58.09 -87.36 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 O-C-N 123.144 0.278 . . . . 0.0 110.344 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.457 ' CE2' HG13 ' A' ' 20' ' ' VAL . 40.0 m-85 -151.65 161.63 42.35 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 122.628 0.371 . . . . 0.0 110.33 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.14 142.47 36.34 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.557 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 699' ' ' LEU . . . . . 0.558 HD22 ' CD ' ' A' ' 153' ' ' GLU . 79.8 mt -134.17 160.07 38.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.49 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 700' ' ' ARG . . . . . 0.432 ' HD3' HD22 ' A' ' 82' ' ' LEU . 79.1 mtm180 -85.21 42.69 0.96 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 36.3 m -60.72 -41.14 94.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 14.3 m -60.8 150.66 31.99 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -142.61 173.59 11.4 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.619 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 65.0 mtt -79.51 146.69 32.54 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.411 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 62.03 120.14 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.534 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 101.13 -18.77 53.86 Favored Glycine 0 CA--C 1.535 1.312 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -65.92 140.89 58.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.641 0.221 . . . . 0.0 110.608 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.317 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -117.84 153.68 33.09 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.149 0.281 . . . . 0.0 110.534 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 56.01 22.82 6.15 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.166 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t -122.1 102.07 7.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.206 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -133.23 28.99 4.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.893 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.457 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.8 p -60.56 -42.83 97.38 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.037 0.446 . . . . 0.0 111.277 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mm -71.16 -42.3 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.045 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 115' ' ' PRO . 96.5 m-85 -63.99 -43.18 96.49 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.994 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 14' ' ' SER . 14.7 p -62.17 -37.37 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.23 -40.79 87.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.959 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.65 -40.93 93.83 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.65 -42.85 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 24' ' ' VAL . 28.0 tp -61.5 -35.86 78.88 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.464 0.477 . . . . 0.0 110.649 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -62.25 -39.03 91.51 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -79.42 -36.03 39.62 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 123.208 0.317 . . . . 0.0 111.145 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 21' ' ' LEU . 1.8 p -78.69 -33.4 16.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.778 -178.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.16 90.13 0.27 Allowed Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.131 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.84 -29.39 35.16 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.264 1.976 . . . . 0.0 113.162 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -64.68 -42.19 95.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.918 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.2 p -77.49 142.34 39.16 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.72 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.07 172.27 19.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.0 tt -134.95 142.36 40.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 110.387 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.9 m -78.48 152.54 32.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.438 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -62.1 -34.04 75.57 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 122.971 0.508 . . . . 0.0 110.281 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -67.54 -45.63 75.13 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 122.894 0.478 . . . . 0.0 110.264 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.19 96.96 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttm -62.52 -44.4 96.45 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.404 0.44 . . . . 0.0 110.4 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.95 -39.46 97.32 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.404 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.28 -42.61 96.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.1 mmm -62.12 -37.07 83.7 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -61.15 -43.52 98.76 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.353 0.408 . . . . 0.0 110.169 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -64.32 -36.56 84.53 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.377 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE2' HD21 ' A' ' 186' ' ' LEU . 61.1 t80 -62.7 -45.79 91.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.347 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -60.18 -47.19 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -65.62 -40.24 92.38 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 123.375 0.422 . . . . 0.0 111.234 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.44 -45.59 93.67 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.348 0.405 . . . . 0.0 111.387 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.492 HG22 HD12 ' A' ' 49' ' ' ILE . 36.3 mm -63.15 -40.85 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -55.99 -46.76 78.6 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -63.88 -44.93 91.55 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.537 ' NH2' HD11 ' A' ' 185' ' ' LEU . 56.6 ttp180 -63.58 -45.84 88.57 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.153 0.283 . . . . 0.0 111.43 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.492 HD12 HG22 ' A' ' 45' ' ' ILE . 94.9 mt -64.64 -43.13 96.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 O-C-N 123.319 0.387 . . . . 0.0 110.222 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 128' ' ' TYR . . . -58.96 -39.23 81.09 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.73 -42.99 94.97 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -67.19 -40.15 86.48 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.27 96.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.387 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.5 p -61.17 -43.05 99.5 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.175 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -61.66 -40.27 94.34 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.344 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.38 -39.7 95.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.563 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.14 87.4 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.191 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -63.16 -43.61 97.8 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.399 0.437 . . . . 0.0 110.174 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -60.92 -42.14 97.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.842 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -88.04 0.83 55.47 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.97 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt 54.6 31.91 16.02 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.663 0.268 . . . . 0.0 111.278 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -95.32 122.11 37.68 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.45 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 p -68.97 -40.44 78.83 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.363 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 m -98.61 135.49 40.05 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.698 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 129' ' ' SER . 79.5 mt -93.71 137.89 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.9 p -126.92 176.98 6.9 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.213 0.53 . . . . 0.0 111.083 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 m -55.08 -32.65 62.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.934 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -60.6 -44.1 96.65 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -66.75 -42.84 85.53 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.146 0.279 . . . . 0.0 110.489 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.683 HD11 ' HB1' ' A' ' 136' ' ' ALA . 89.0 mt -64.14 -41.83 93.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.967 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -55.79 -43.05 76.44 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.631 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.0 m -63.53 -45.29 91.26 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.235 0.334 . . . . 0.0 110.489 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.66 98.48 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.817 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 70' ' ' ILE . 97.5 t -62.15 -45.03 99.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.503 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.61 -38.25 90.34 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.357 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.41 -34.07 67.59 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.8 mt -82.9 -37.94 23.56 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 mp -89.67 151.21 45.47 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -58.11 161.58 13.23 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.355 2.037 . . . . 0.0 111.166 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.38 -47.87 66.98 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.922 -0.377 . . . . 0.0 112.933 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -66.78 -43.08 84.9 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.924 0.362 . . . . 0.0 111.708 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 181' ' ' GLU . 4.5 mm? -64.63 -39.49 93.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.495 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.27 -38.15 85.71 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.842 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -59.05 -47.43 85.25 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.139 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 68.9 m80 -70.56 -40.97 73.04 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.264 0.352 . . . . 0.0 111.473 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -38.76 88.71 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.467 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 83' ' ' ALA . 71.1 t -62.9 -42.07 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 123.36 0.413 . . . . 0.0 110.348 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -61.45 -42.11 98.26 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.463 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 36.5 mt-10 -67.45 -44.3 79.0 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.332 0.653 . . . . 0.0 112.025 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.66 -46.47 61.49 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.801 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -62.26 -46.31 89.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.48 0.181 . . . . 0.0 110.647 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.35 -37.21 86.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.747 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.82 84.45 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 86.1 t -66.8 -42.38 89.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 m -61.6 -41.04 96.87 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.056 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.49 -41.75 94.92 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.422 0.451 . . . . 0.0 109.786 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.4 -45.88 91.13 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.9 p -68.06 -35.67 78.59 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.68 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.2 m -80.53 -20.88 42.52 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.124 1.769 . . . . 0.0 111.223 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -58.78 140.78 54.52 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 118.096 0.407 . . . . 0.0 110.773 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.2 150.35 46.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.413 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.1 m 57.21 18.45 4.22 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.278 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 109' ' ' ARG . . . -82.13 156.71 24.36 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.37 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -134.95 -11.03 2.29 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.76 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 29.7 m -116.87 136.96 52.54 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.92 -43.87 94.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.5 p -65.37 -38.73 90.93 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.36 0.412 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -61.93 -40.88 97.01 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.4 0.438 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 95.9 mtt-85 -62.82 -33.65 75.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.455 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -84.98 -32.03 23.22 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.172 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.47 63.35 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 141' ' ' ALA . 72.5 mt -105.45 135.61 46.52 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.492 0.187 . . . . 0.0 110.502 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -62.57 -41.37 98.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.693 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -62.57 137.19 96.33 Favored Pre-proline 0 CA--C 1.545 0.77 0 O-C-N 123.513 0.508 . . . . 0.0 110.763 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 33.3 Cg_exo -59.34 104.26 0.2 Allowed 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.07 1.847 . . . . 0.0 112.014 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.438 HG11 HG22 ' A' ' 138' ' ' VAL . 83.6 t -65.42 -42.66 93.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.2 -41.15 92.65 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.93 -38.1 89.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.537 0.169 . . . . 0.0 111.25 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.71 -45.01 94.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -59.42 -41.49 89.62 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.374 0.421 . . . . 0.0 110.686 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -65.05 -41.25 95.35 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.413 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.9 -41.17 97.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.681 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.71 -43.33 99.07 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.298 0.373 . . . . 0.0 111.042 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -69.27 -41.89 76.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -64.25 -39.93 94.96 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.448 0.467 . . . . 0.0 110.226 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.07 -8.7 11.7 Favored Glycine 0 CA--C 1.538 1.527 0 O-C-N 123.366 0.416 . . . . 0.0 112.141 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 63.7 t30 59.15 30.02 19.7 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.998 0.399 . . . . 0.0 111.351 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 50' ' ' ALA . 67.3 m-85 -64.93 -40.89 95.73 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.472 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.426 ' HB3' HD11 ' A' ' 65' ' ' ILE . 87.7 p -149.81 166.96 27.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.533 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -65.08 -38.9 92.23 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.59 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -136.33 152.43 50.66 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.369 0.418 . . . . 0.0 111.041 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.7 t -130.59 137.57 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -81.37 172.08 53.55 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -87.18 -38.48 16.35 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.965 0.412 . . . . 0.0 110.856 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.16 -34.05 88.62 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -56.8 -60.79 8.37 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.314 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 40.4 Cg_exo -54.0 -36.17 83.29 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 121.805 1.67 . . . . 0.0 111.258 178.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 134' ' ' ALA . 93.0 t -62.37 -45.88 97.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -61.9 -47.8 83.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.192 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.32 -40.7 97.19 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.804 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.477 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -57.97 -42.88 85.97 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.788 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -65.19 -40.16 93.83 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.426 0.454 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.24 -45.01 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.252 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.81 -40.71 96.19 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.355 0.409 . . . . 0.0 110.969 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -62.43 -37.48 86.03 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.429 0.455 . . . . 0.0 110.346 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 68.0 t80 -61.82 -48.23 81.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.471 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.7 -43.14 99.57 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.325 0.391 . . . . 0.0 111.369 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 19.7 m -63.37 -45.69 89.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.137 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.51 84.73 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 112.173 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -68.22 -42.3 79.99 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.582 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.56 -43.47 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 123.26 0.35 . . . . 0.0 110.059 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.74 -40.19 96.47 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.461 0.475 . . . . 0.0 111.452 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -65.47 -43.18 91.06 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.258 0.349 . . . . 0.0 110.746 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.681 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 69.7 mt -63.33 -40.64 97.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.238 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.52 87.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.344 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -60.8 -40.57 98.37 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -64.67 -42.68 95.21 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.245 -0.182 . . . . 0.0 110.53 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.7 88.85 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.59 80.93 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.981 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -60.05 -42.0 93.52 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.743 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -65.54 -22.49 66.71 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.82 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -96.92 13.36 29.1 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.518 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 58.62 35.12 24.33 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.958 0.408 . . . . 0.0 111.2 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -124.6 139.1 54.19 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.722 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 20.8 p -98.5 -17.5 18.7 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.35 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -82.69 144.14 30.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.388 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 66.4 mt -103.8 127.96 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 22.8 pt -131.11 165.21 36.76 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.037 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.83 -33.19 40.09 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.104 1.87 . . . . 0.0 112.015 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.38 -43.07 99.49 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -66.49 -40.45 89.29 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.291 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.2 mt -61.7 -42.66 99.23 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -65.37 -40.95 94.17 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.368 0.417 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.65 -42.55 99.66 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.455 0.472 . . . . 0.0 111.062 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -64.18 -46.46 83.86 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.374 0.421 . . . . 0.0 111.246 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 186' ' ' LEU . 93.8 mt -65.43 -44.12 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -65.48 -33.15 75.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -76.31 -16.5 59.75 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.192 0.308 . . . . 0.0 111.58 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.59 116.21 31.54 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -62.25 -42.1 99.03 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.55 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.408 ' HB3' HD23 ' A' ' 82' ' ' LEU . 41.4 mm-40 -61.72 -48.39 80.97 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.181 0.301 . . . . 0.0 111.419 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.93 -36.29 82.91 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.514 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -59.54 -37.85 79.49 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.992 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.03 -44.4 96.03 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.212 0.32 . . . . 0.0 110.417 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.537 HD11 ' NH2' ' A' ' 48' ' ' ARG . 28.9 tp -65.8 -41.22 92.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.789 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.564 HD13 HD13 ' A' ' 176' ' ' ILE . 77.6 mt -100.11 20.89 13.69 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.026 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -57.23 -38.03 84.0 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -95.58 17.2 15.29 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 89.7 t -123.61 128.26 74.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 27.5 m -119.04 111.21 18.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.548 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 67.2 mt -91.67 -40.89 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.036 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -83.04 121.53 27.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.607 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -71.63 -39.65 70.26 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.5 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.9 -179.84 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.7 ptt? . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -102.77 129.98 49.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.995 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.0 pt -131.71 157.67 43.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.977 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -110.37 142.75 41.62 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.937 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.14 129.31 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -118.79 151.07 38.73 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.91 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 70.5 p -122.37 164.19 18.42 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.513 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.86 -25.19 67.07 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.406 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -69.11 -19.38 64.05 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 120.226 -1.546 . . . . 0.0 111.186 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.15 12.23 37.05 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 121.515 -0.74 . . . . 0.0 112.638 -172.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -89.75 132.57 35.13 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.133 0.467 . . . . 0.0 110.087 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.2 m -120.49 126.8 51.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.017 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.545 HD12 ' CD ' ' B' ' 33' ' ' LYS . 47.7 pt -127.5 136.15 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.724 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -83.08 141.55 31.93 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 tp -144.52 136.15 25.72 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.852 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -108.9 118.19 36.15 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.927 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.01 161.53 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.227 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -100.13 141.95 23.71 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.93 -19.12 30.63 Favored 'Trans proline' 0 N--CA 1.505 2.201 0 C-N-CA 122.146 1.897 . . . . 0.0 112.864 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -88.89 2.44 53.75 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.23 174.58 11.4 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.717 0.294 . . . . 0.0 110.943 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -107.91 154.19 21.96 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.268 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mm -61.75 -40.6 87.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.695 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -54.93 -44.26 74.11 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -62.44 -40.07 95.41 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.337 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.69 -43.82 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.666 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.3 -38.57 77.34 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.442 0.464 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.91 87.02 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.346 0.404 . . . . 0.0 110.324 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.0 -39.66 95.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.962 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 44.1 mm -63.16 -41.35 92.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.496 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -56.09 -37.62 69.6 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.28 -41.26 94.35 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.542 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.545 ' CD ' HD12 ' B' ' 13' ' ' ILE . 64.5 mttp -88.21 -29.3 20.59 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -91.85 -41.01 10.86 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 119.792 -1.817 . . . . 0.0 113.942 175.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.07 27.73 39.75 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -171.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.5 mt -116.11 136.81 23.06 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-O 119.15 -0.452 . . . . 0.0 109.912 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.17 129.89 13.24 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.949 1.766 . . . . 0.0 112.23 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -55.13 -37.46 94.11 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.114 1.876 . . . . 0.0 112.732 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.97 -36.49 83.65 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -80.37 11.23 3.76 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.9 -0.5 . . . . 0.0 111.24 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -117.68 134.03 55.32 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -116.98 128.4 55.15 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -101.57 126.79 48.44 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.587 HD11 HD12 ' C' ' 676' ' ' LEU . 78.3 mt -118.93 130.29 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.66 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 81.8 t80 -129.78 125.61 36.21 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 70.67 18.42 6.35 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 123.326 0.391 . . . . 0.0 110.844 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.22 12.79 67.13 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.715 -0.491 . . . . 0.0 112.812 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.427 ' N ' HG23 ' B' ' 44' ' ' ILE . 51.9 pttt -128.87 135.28 48.88 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -62.78 175.27 0.86 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.366 0.416 . . . . 0.0 110.501 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.418 HD23 ' CZ ' ' B' ' 59' ' ' TYR . 74.3 mt -125.61 147.44 49.31 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.497 0.498 . . . . 0.0 110.994 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -89.45 137.85 31.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.739 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.34 -36.48 84.26 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.466 0.479 . . . . 0.0 112.088 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.54 11.57 24.94 Favored Glycine 0 CA--C 1.534 1.275 0 O-C-N 123.491 0.494 . . . . 0.0 113.248 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -119.91 158.12 27.34 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 117.441 0.62 . . . . 0.0 111.07 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 78.1 p -100.11 167.95 10.13 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.769 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 99.4 mt -64.21 -39.57 94.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.539 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -59.1 -29.03 67.06 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.764 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.77 -34.01 76.35 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.183 0.302 . . . . 0.0 111.114 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.418 ' CZ ' HD23 ' B' ' 50' ' ' LEU . 56.5 m-85 -92.2 9.31 34.24 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.315 0.384 . . . . 0.0 111.775 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 56.82 38.81 29.71 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.897 0.38 . . . . 0.0 111.342 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.7 mt -77.14 126.6 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -94.22 -178.55 4.65 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -66.6 148.15 52.29 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 54.66 84.28 0.07 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.311 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 p -129.49 156.05 44.75 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.254 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.6 m -105.19 121.39 43.73 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.326 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 71.5 mt -111.46 128.33 55.97 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.062 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -90.93 141.53 28.73 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.138 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.3 tp -110.92 130.37 55.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.745 -178.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.59 HG22 ' HB1' ' C' ' 673' ' ' ALA . 17.5 t -131.67 165.13 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.829 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.5 ' N ' HG12 ' B' ' 70' ' ' VAL . 8.4 mp -106.99 131.49 54.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.719 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -97.28 134.58 40.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.233 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.582 HD12 ' C ' ' C' ' 680' ' ' PHE . 52.9 mt -115.14 -7.07 12.47 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.792 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -61.96 -41.27 97.79 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.82 166.55 24.28 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -86.86 -21.51 26.34 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.433 0.137 . . . . 0.0 111.15 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 95.4 mtp -63.36 -40.96 98.7 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.141 0.276 . . . . 0.0 110.547 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -177.27 143.52 0.53 Allowed Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.484 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.44 -12.15 34.02 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 122.223 1.949 . . . . 0.0 112.937 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.41 HG12 ' CE ' ' C' ' 659' ' ' MET . 49.0 t -61.04 -40.91 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.447 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 29.7 mt -60.43 -44.05 96.17 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.27 0.356 . . . . 0.0 110.921 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.41 -41.49 98.72 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.335 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.24 -37.88 86.57 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.002 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.447 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 70.5 mtm -65.83 -37.57 86.56 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.09 -43.87 97.89 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.19 -44.0 85.2 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.951 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -65.27 -39.76 93.01 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.02 -39.37 94.56 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.754 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -61.77 -42.57 99.16 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.19 0.306 . . . . 0.0 110.649 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -72.79 -38.09 67.36 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.356 0.41 . . . . 0.0 110.718 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -64.0 -44.69 91.87 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.262 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.67 -32.01 73.04 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.584 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.09 -42.49 94.76 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.35 -37.8 88.8 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.262 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -63.82 -38.9 92.83 Favored 'General case' 0 C--N 1.339 0.115 0 O-C-N 123.413 0.446 . . . . 0.0 111.0 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -62.17 -46.54 88.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.494 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -65.73 -41.52 92.14 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.59 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -59.95 -38.27 81.96 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.414 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 674' ' ' LEU . . . . . 0.437 HD21 ' NH2' ' C' ' 678' ' ' ARG . 28.6 tp -62.02 -37.7 85.9 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.79 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.65 -42.95 99.62 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.587 HD12 HD11 ' B' ' 44' ' ' ILE . 89.3 mt -63.67 -43.91 95.31 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.48 -41.93 95.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 678' ' ' ARG . . . . . 0.437 ' NH2' HD21 ' C' ' 674' ' ' LEU . 99.6 mtt180 -69.34 -43.02 74.53 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.286 0.366 . . . . 0.0 111.496 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 60.5 mtm -64.53 -44.25 91.44 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.313 0.383 . . . . 0.0 111.182 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.582 ' C ' HD12 ' B' ' 73' ' ' LEU . 27.6 m-85 -66.22 -39.82 89.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.25 -34.05 77.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.75 -40.9 96.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.466 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.58 -39.19 91.36 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.361 0.413 . . . . 0.0 110.295 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -62.36 -36.25 81.67 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.057 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 65.38 74.6 0.38 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.613 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 68.2 p -93.57 177.38 6.04 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.334 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 45.7 t -113.54 130.91 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 27.2 t -72.66 143.6 48.06 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.73 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -130.94 149.17 52.69 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.318 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -64.89 143.5 57.9 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.361 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -109.63 130.36 55.52 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.444 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -79.58 -85.47 0.59 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 19.8 p -154.18 -66.01 0.14 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.541 0.21 . . . . 0.0 110.531 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.07 135.54 60.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.886 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -97.02 110.47 23.0 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.73 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -145.11 172.23 13.38 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.326 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -52.87 142.87 18.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.828 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.78 137.01 56.32 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.126 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 56.1 mt -131.07 139.71 49.94 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.707 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -65.9 -34.34 77.89 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.676 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 48.1 m -51.98 -40.23 60.6 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.348 0.405 . . . . 0.0 111.053 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 5.3 p -130.85 128.6 40.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -151.47 166.95 29.54 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.538 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 95.2 mmm -130.14 145.19 51.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -157.82 161.38 38.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.572 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 89.63 16.66 56.39 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.928 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -72.57 142.09 48.42 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.682 0.241 . . . . 0.0 110.775 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 64.1 tttm . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.208 179.676 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -140.56 155.37 46.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.759 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -95.79 125.79 40.61 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.099 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.1 m -61.96 -38.97 90.51 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.546 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CD1' HG11 ' A' ' 42' ' ' VAL . 36.4 m-85 60.41 9.02 1.83 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.846 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 17' ' ' VAL . 78.3 p -68.24 -40.81 81.89 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.888 0.375 . . . . 0.0 111.098 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mm -69.33 -43.09 81.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.194 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 115' ' ' PRO . 93.5 m-85 -62.88 -43.63 98.27 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.876 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.559 HG23 ' CG2' ' A' ' 148' ' ' THR . 8.7 p -63.22 -36.41 75.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -55.07 -45.75 75.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -62.67 -39.06 92.75 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.93 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' CE2' ' C' ' 697' ' ' TYR . 71.0 t -60.42 -42.54 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD13 HD22 ' A' ' 152' ' ' LEU . 39.4 tp -59.76 -37.41 78.94 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.37 0.419 . . . . 0.0 110.671 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -63.47 -35.75 81.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.784 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -35.3 54.25 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.466 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 p -77.0 -27.87 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.751 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.33 91.13 0.21 Allowed Pre-proline 0 CA--C 1.551 0.998 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -58.01 -33.32 97.09 Favored 'Trans proline' 0 N--CA 1.504 2.092 0 C-N-CA 122.56 2.173 . . . . 0.0 112.98 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.25 -50.23 72.55 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.7 p -81.84 133.49 35.33 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.848 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.14 -172.56 21.71 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 tt -137.33 139.5 43.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.748 0.308 . . . . 0.0 110.267 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -79.03 160.93 26.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.266 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -59.06 -40.86 86.49 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 124.715 1.206 . . . . 0.0 109.043 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -67.08 -43.39 82.69 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.369 1.068 . . . . 0.0 110.596 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.94 91.46 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.489 0.493 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.413 ' SD ' HG13 ' A' ' 17' ' ' VAL . 8.4 tpp -64.95 -41.39 95.54 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.537 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.29 -38.96 95.41 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.79 -43.96 99.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.8 mmm -64.8 -35.51 81.33 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.058 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -59.27 -44.46 92.43 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.5 m -67.15 -33.79 76.18 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.402 0.439 . . . . 0.0 110.481 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -61.85 -44.56 96.59 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.028 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.508 HG11 ' CD1' ' A' ' 13' ' ' TYR . 61.2 t -61.28 -46.71 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -64.48 -42.44 95.88 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.486 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.93 -48.1 77.91 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.683 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.0 mm -65.4 -41.98 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.075 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -57.17 -46.47 82.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.2 -42.43 84.15 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.268 0.355 . . . . 0.0 111.933 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -62.35 -44.23 96.97 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.192 0.307 . . . . 0.0 111.628 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' A' ' 140' ' ' LEU . 92.6 mt -65.19 -43.25 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB1' ' CZ ' ' A' ' 128' ' ' TYR . . . -60.26 -42.07 94.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.23 -43.36 95.46 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -67.67 -39.71 84.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.62 93.05 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.5 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.9 p -61.11 -43.64 98.57 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.211 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.47 -40.87 98.25 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.559 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.33 -41.2 98.37 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -64.21 -37.64 88.18 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.371 0.42 . . . . 0.0 110.483 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -65.82 -42.45 90.58 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.928 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -63.18 -40.03 96.33 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.87 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -86.92 0.71 54.57 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.923 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 55.66 30.34 15.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.75 0.31 . . . . 0.0 111.312 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.422 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 95.0 mtt180 -100.98 107.68 19.21 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.525 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.3 m -60.47 -38.9 85.74 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 m -89.55 126.14 35.49 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.735 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.8 mt -86.26 135.06 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.5 p -131.53 176.03 8.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.83 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.8 p -56.35 -32.22 64.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.958 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -61.08 -43.9 98.19 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.013 0.196 . . . . 0.0 111.319 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -66.62 -43.31 85.12 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.074 0.234 . . . . 0.0 110.682 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.569 HD11 ' HB1' ' A' ' 136' ' ' ALA . 96.8 mt -63.89 -42.78 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.018 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -56.25 -43.15 78.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.912 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 m -62.85 -45.03 94.51 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.214 0.321 . . . . 0.0 110.461 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.82 92.36 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.45 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' ILE . 70.8 t -64.51 -45.51 95.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 123.34 0.4 . . . . 0.0 110.408 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.89 -38.44 90.98 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.19 0.306 . . . . 0.0 111.636 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.3 mt -71.23 -33.39 69.82 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -87.27 -37.13 17.47 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 78' ' ' LEU . 9.4 mp -93.83 149.99 37.92 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.237 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -63.48 -176.66 0.33 Allowed 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.463 2.108 . . . . 0.0 111.764 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.54 -48.95 67.83 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 116.353 -0.385 . . . . 0.0 113.273 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -64.0 -45.97 86.63 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.864 0.332 . . . . 0.0 111.628 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' A' ' 181' ' ' GLU . 4.4 mm? -63.87 -41.63 97.71 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.348 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.13 -40.24 94.17 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.369 0.418 . . . . 0.0 111.918 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -59.99 -46.75 88.44 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.136 0.273 . . . . 0.0 111.442 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 146' ' ' TYR . 25.7 m-70 -71.52 -36.3 71.0 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.02 84.64 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 83' ' ' ALA . 93.3 t -63.74 -41.68 93.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.441 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -62.97 -44.19 96.74 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 123.431 0.693 . . . . 0.0 110.785 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 12.6 mt-10 -66.08 -45.38 81.47 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 120.542 -1.349 . . . . 0.0 111.184 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.18 -43.05 73.44 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 87' ' ' VAL . 24.5 p -64.15 -45.73 87.21 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.668 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -63.97 -37.03 85.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.961 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.58 93.83 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.84 -41.46 90.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 m -60.07 -44.55 94.66 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.071 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.66 -36.19 82.07 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.069 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -58.7 -46.67 86.77 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.5 m -69.17 -38.9 78.95 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.721 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.5 t -63.09 -46.91 85.14 Favored 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 124.672 1.189 . . . . 0.0 111.599 -177.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 52.7 m -62.4 -35.05 77.99 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 122.376 0.271 . . . . 0.0 110.86 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 100' ' ' SER . . . 71.7 -63.01 0.44 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.546 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -132.81 136.55 46.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.395 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.518 ' HB3' ' HG3' ' A' ' 109' ' ' ARG . . . -143.96 165.42 27.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.133 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.99 -46.04 75.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.879 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.9 p -126.41 166.65 16.8 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.787 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.16 -43.25 87.47 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.5 p -61.63 -33.03 73.22 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.3 0.375 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.3 t -63.88 -38.15 90.04 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.368 0.417 . . . . 0.0 110.875 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.518 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 99.7 mtt180 -62.17 -34.73 76.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -93.5 -22.19 19.01 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.673 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 65.56 39.6 95.63 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.445 HD13 ' HB3' ' A' ' 141' ' ' ALA . 67.0 mt -109.92 133.96 52.61 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.452 ' OE1' HG22 ' A' ' 20' ' ' VAL . 27.1 mt-30 -56.84 -43.49 81.15 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -63.41 129.34 93.52 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 123.507 0.504 . . . . 0.0 110.31 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 28.1 Cg_exo -58.95 106.59 0.3 Allowed 'Trans proline' 0 N--CA 1.502 2.0 0 C-N-CA 122.151 1.9 . . . . 0.0 112.051 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.407 HG11 HG22 ' A' ' 138' ' ' VAL . 89.4 t -63.42 -43.25 98.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.334 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.38 -40.03 91.4 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -66.2 -38.8 88.86 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.334 0.111 . . . . 0.0 110.908 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.88 -44.9 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.471 ' CE1' ' HB ' ' A' ' 132' ' ' VAL . 11.3 t-80 -60.93 -43.35 98.75 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.463 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -64.88 -41.53 95.56 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.26 -40.28 95.68 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.396 0.435 . . . . 0.0 111.431 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.97 -44.03 97.93 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.335 0.397 . . . . 0.0 110.856 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.73 -40.72 76.05 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.71 -39.45 93.66 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.748 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.69 -5.26 23.27 Favored Glycine 0 CA--C 1.54 1.598 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.127 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.2 t30 59.36 28.47 17.83 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.946 0.373 . . . . 0.0 111.495 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.469 ' CZ ' ' HB1' ' A' ' 50' ' ' ALA . 63.5 m-85 -63.54 -41.4 98.45 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.337 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 82.5 p -153.74 163.21 40.4 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.453 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -67.38 -38.88 85.4 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -126.2 145.56 50.33 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.471 ' HB ' ' CE1' ' A' ' 120' ' ' HIS . 61.6 t -128.43 134.89 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -84.55 175.06 50.69 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -91.68 -37.42 13.04 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.579 -0.31 . . . . 0.0 110.815 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.69 -35.05 90.54 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.703 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.784 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -59.21 -59.93 12.23 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.553 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.784 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 41.6 Cg_exo -54.31 -38.31 88.73 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 121.641 1.56 . . . . 0.0 111.34 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 134' ' ' ALA . 95.5 t -62.8 -45.8 97.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 143' ' ' VAL . 32.0 t80 -61.96 -43.92 97.82 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.458 0.474 . . . . 0.0 110.087 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.42 ' CD1' HG21 ' A' ' 49' ' ' ILE . 32.0 tp -62.65 -41.64 99.17 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.741 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.445 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -59.04 -41.76 88.6 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -66.05 -41.79 90.39 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.424 0.452 . . . . 0.0 111.123 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 139' ' ' TYR . 65.5 t -63.82 -45.56 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.388 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.93 -40.99 97.72 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.396 0.435 . . . . 0.0 111.197 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -64.28 -39.37 93.8 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.526 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 69.8 t80 -61.52 -47.48 85.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.69 -42.45 98.96 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.113 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.559 ' CG2' HG23 ' A' ' 17' ' ' VAL . 15.7 m -62.55 -44.39 96.45 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.431 0.457 . . . . 0.0 111.007 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.92 88.84 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.0 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.462 ' OE1' HD23 ' C' ' 699' ' ' LEU . 6.2 mm-40 -68.52 -41.4 80.0 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.236 0.335 . . . . 0.0 111.845 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.5 -43.42 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 O-C-N 123.389 0.43 . . . . 0.0 109.907 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 21' ' ' LEU . 79.4 mt -63.59 -40.37 96.77 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.4 0.438 . . . . 0.0 111.611 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.468 ' HG2' HD22 ' C' ' 699' ' ' LEU . 46.1 tp10 -62.62 -45.78 91.29 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.129 0.268 . . . . 0.0 110.524 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.63 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 66.7 mt -62.95 -40.16 96.83 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.305 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.75 -36.99 80.32 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.179 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -62.96 -39.19 97.76 Favored Glycine 0 C--N 1.339 0.744 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -62.32 -41.95 98.97 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.98 95.54 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -65.28 -34.62 78.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.912 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 61.8 ttt85 -58.32 -43.36 88.13 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -64.93 -33.61 76.44 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.361 0.413 . . . . 0.0 110.255 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -96.99 16.36 19.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.788 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 61.8 pttt 41.01 46.68 2.5 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.045 0.45 . . . . 0.0 111.942 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.591 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 88.8 mttt -113.76 118.28 33.84 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.521 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 28.9 p -66.86 -38.66 86.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -86.73 150.7 23.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 71.1 mt -103.47 129.58 55.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 24.0 pt -119.99 165.92 16.51 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.208 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -51.75 -33.82 51.6 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.121 1.88 . . . . 0.0 112.058 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -61.2 -42.72 99.09 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -66.4 -41.37 89.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.155 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.03 -42.6 99.8 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.37 -43.28 95.02 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.242 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.91 -41.21 97.73 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.991 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -62.87 -45.43 92.6 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.406 HD13 HD13 ' A' ' 182' ' ' LEU . 37.0 mm -64.12 -43.87 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.139 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -65.92 -33.49 75.96 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.467 0.479 . . . . 0.0 110.759 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -76.07 -16.83 59.86 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.089 0.243 . . . . 0.0 111.384 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -104.29 112.84 26.04 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.18 -39.98 96.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.681 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.517 ' HB3' HD23 ' A' ' 82' ' ' LEU . 50.7 mp0 -62.89 -47.13 84.65 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.269 0.356 . . . . 0.0 111.638 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.406 HD13 HD13 ' A' ' 176' ' ' ILE . 75.8 mt -65.7 -35.91 82.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.804 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -59.39 -40.8 87.72 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.254 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.87 -44.76 92.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.42 -39.8 92.59 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.666 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 67.1 mt -97.77 20.02 12.72 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.034 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -59.01 -35.59 84.45 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -98.71 11.86 37.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 70.4 t -121.62 126.6 74.96 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 6.7 t -114.23 139.35 49.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.726 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 24.2 mm -88.17 138.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.25 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -51.3 -37.93 50.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 60.85 96.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.249 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 118.005 -1.441 . . . . 0.0 110.945 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptt? . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -96.43 130.26 43.61 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.121 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.5 pt -131.64 162.49 39.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.053 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -116.35 141.17 48.51 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -120.35 129.16 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -115.28 151.8 33.88 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.182 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.3 p -122.75 164.61 18.01 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.694 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.92 -22.27 65.45 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.312 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 58.7 p -69.87 -24.4 63.41 Favored 'General case' 0 N--CA 1.439 -0.986 0 O-C-N 119.895 -1.753 . . . . 0.0 111.284 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.22 1.6 38.45 Favored Glycine 0 C--N 1.356 1.687 0 O-C-N 121.161 -0.962 . . . . 0.0 112.677 -173.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -82.78 150.57 26.56 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 117.262 0.531 . . . . 0.0 110.099 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.5 m -130.9 128.54 40.75 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.321 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.585 HD12 ' CD ' ' B' ' 33' ' ' LYS . 46.8 pt -123.32 135.67 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.295 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.7 t -81.62 139.16 35.17 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.5 tp -142.79 141.0 31.58 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -110.94 116.68 31.62 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.239 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -135.01 161.99 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.037 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -107.44 154.35 40.73 Favored Pre-proline 0 CA--C 1.539 0.522 0 O-C-N 123.177 0.298 . . . . 0.0 110.718 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.84 -34.36 91.17 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 122.252 1.968 . . . . 0.0 112.299 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.4 p -78.03 -15.56 58.82 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -66.35 142.23 57.7 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.65 0.262 . . . . 0.0 110.544 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p -80.14 159.12 26.16 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.903 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.47 HG23 HD12 ' B' ' 43' ' ' LEU . 34.2 mm -63.94 -42.35 95.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.468 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.14 -37.82 72.61 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.343 0.402 . . . . 0.0 110.228 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -62.66 -42.22 99.5 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.073 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.93 -43.11 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.544 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.27 -39.25 86.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.649 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.97 85.15 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.352 0.408 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.78 -39.55 94.55 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.435 0.459 . . . . 0.0 109.791 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.9 -41.86 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -56.5 -37.54 70.54 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.74 -35.22 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.843 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.585 ' CD ' HD12 ' B' ' 13' ' ' ILE . 63.5 mttp -81.32 -46.0 15.36 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.489 ' HG2' HD11 ' B' ' 36' ' ' ILE . 4.3 tp10 -98.95 -36.55 9.71 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 176.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.65 30.62 11.41 Favored Glycine 0 C--N 1.359 1.832 0 C-N-CA 124.492 1.044 . . . . 0.0 111.676 -170.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.489 HD11 ' HG2' ' B' ' 34' ' ' GLU . 52.2 mt -94.53 141.05 22.93 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.083 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.01 118.01 4.8 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 121.989 1.793 . . . . 0.0 112.256 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -55.65 -35.89 93.81 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.301 2.0 . . . . 0.0 112.637 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.75 -38.64 91.86 Favored 'General case' 0 N--CA 1.422 -1.833 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -88.36 9.21 24.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.605 0.762 . . . . 0.0 111.506 -169.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -108.33 137.1 46.87 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.893 0.377 . . . . 0.0 111.729 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -114.39 134.72 54.77 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.256 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.53 ' HB3' HD12 ' B' ' 50' ' ' LEU . 73.2 mt -108.45 128.82 55.13 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.621 HD13 ' HA ' ' B' ' 49' ' ' GLN . 10.4 mm -115.25 129.66 71.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.286 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -122.07 121.43 36.95 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.73 26.91 8.07 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.325 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.41 15.77 70.6 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 112.091 -0.404 . . . . 0.0 112.091 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -111.12 136.71 49.75 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 117.151 0.476 . . . . 0.0 110.3 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.706 ' NE2' HD21 ' C' ' 676' ' ' LEU . 82.2 mt-30 -64.7 150.91 46.35 Favored 'General case' 0 CA--C 1.515 -0.399 0 O-C-N 123.438 0.461 . . . . 0.0 110.079 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' B' ' 43' ' ' LEU . 96.0 mt -121.4 127.28 51.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.206 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -86.22 136.9 33.0 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.095 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -64.02 -38.89 92.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.688 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.93 -18.17 70.36 Favored Glycine 0 CA--C 1.534 1.234 0 O-C-N 123.571 0.544 . . . . 0.0 112.934 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -91.28 163.89 14.07 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 117.273 0.536 . . . . 0.0 111.003 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -102.83 167.57 9.79 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.7 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.98 -40.08 96.65 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.467 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.6 t -58.57 -29.11 66.14 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.17 -35.55 77.43 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.176 0.298 . . . . 0.0 111.148 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.484 ' CZ ' HD23 ' B' ' 50' ' ' LEU . 54.1 m-85 -91.95 9.73 31.84 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.788 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.7 t30 52.97 52.66 13.42 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.12 0.486 . . . . 0.0 111.141 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.6 mt -86.51 126.6 40.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -95.34 175.82 6.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.537 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -58.58 143.6 45.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.125 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 57.14 86.57 0.07 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.054 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 96.3 p -129.47 156.82 43.51 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.6 m -108.22 122.4 46.86 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.376 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 71.7 mt -116.42 125.62 52.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.916 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -89.17 148.93 23.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.887 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.6 tp -110.46 131.44 55.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.865 -178.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.597 HG22 ' HB1' ' C' ' 673' ' ' ALA . 14.3 t -130.5 165.11 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.746 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.493 ' N ' HG12 ' B' ' 70' ' ' VAL . 4.5 mp -108.64 125.28 51.69 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.741 0.305 . . . . 0.0 111.328 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -89.09 136.11 33.2 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.481 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.554 HD22 ' CZ ' ' C' ' 684' ' ' ARG . 45.1 mt -125.12 21.73 8.03 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -66.58 -43.01 86.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.363 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.66 173.86 34.61 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -116.4 130.81 56.97 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.527 0.203 . . . . 0.0 110.67 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 94.2 mtp -64.96 -40.17 94.6 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.53 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.52 125.37 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.13 -11.34 25.12 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 122.103 1.869 . . . . 0.0 113.049 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.47 HG12 ' CE ' ' C' ' 659' ' ' MET . 48.6 t -62.19 -42.32 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.468 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 28.6 mt -60.59 -43.43 97.38 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.076 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -64.23 -39.32 93.72 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.531 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.24 -38.99 78.76 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.972 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.47 ' CE ' HG12 ' C' ' 655' ' ' VAL . 73.8 mtm -65.08 -39.45 93.23 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.58 -43.92 97.6 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.698 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.01 -43.42 92.54 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.945 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.53 -40.88 96.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.16 -40.96 97.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -62.15 -42.32 99.14 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.279 0.362 . . . . 0.0 110.494 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.41 -38.32 74.58 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.773 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 666' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' C' ' 670' ' ' ARG . 83.2 tt0 -64.14 -47.74 78.76 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -63.19 -33.48 75.57 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.452 0.47 . . . . 0.0 111.423 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -59.08 -46.28 88.69 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -35.45 78.97 Favored 'General case' 0 C--O 1.226 -0.148 0 O-C-N 123.695 0.622 . . . . 0.0 110.479 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 670' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' C' ' 666' ' ' GLU . 38.0 mtm180 -64.48 -39.3 93.55 Favored 'General case' 0 C--N 1.344 0.341 0 O-C-N 123.376 0.422 . . . . 0.0 110.619 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -65.25 -47.89 75.16 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.34 0.4 . . . . 0.0 110.794 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.518 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.4 tm? -67.5 -43.78 80.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.975 0.416 . . . . 0.0 110.101 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.597 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -61.71 -38.33 87.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.427 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.64 -38.22 86.89 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.702 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.92 -41.29 97.75 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.706 HD21 ' NE2' ' B' ' 49' ' ' GLN . 84.7 mt -64.32 -43.63 94.07 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -61.6 -41.01 96.82 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.439 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 -67.55 -42.81 82.08 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 679' ' ' MET . . . . . 0.41 ' HE3' HD23 ' C' ' 676' ' ' LEU . 75.5 mtm -65.85 -45.31 82.65 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.281 0.363 . . . . 0.0 111.272 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.448 ' C ' HD12 ' B' ' 73' ' ' LEU . 32.5 m-85 -65.31 -41.33 94.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.592 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.65 -34.44 77.87 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.73 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -60.76 -40.12 91.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.739 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -54.53 -42.54 71.0 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.376 0.423 . . . . 0.0 110.129 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.554 ' CZ ' HD22 ' B' ' 73' ' ' LEU . 89.5 mtt180 -80.06 -14.63 58.38 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.679 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 62.42 147.96 0.02 OUTLIER 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.275 0.359 . . . . 0.0 111.127 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 5.9 t -137.18 167.07 22.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.351 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.39 158.5 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.094 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 29.1 p -93.52 13.96 20.24 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 123.46 0.475 . . . . 0.0 111.347 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -59.85 -42.73 94.29 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -105.48 117.98 35.39 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.468 0.48 . . . . 0.0 110.54 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.54 -45.39 87.32 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 63.75 31.18 79.91 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 78.1 p -62.05 -37.07 83.56 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.518 0.199 . . . . 0.0 110.754 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 55.2 t -100.0 121.41 50.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.908 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -113.09 10.88 18.78 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.448 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -99.22 177.0 5.34 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.552 ' CE2' HG13 ' A' ' 20' ' ' VAL . 52.3 m-85 -70.74 148.15 48.27 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.221 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.22 138.65 58.55 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.976 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 699' ' ' LEU . . . . . 0.468 HD22 ' HG2' ' A' ' 153' ' ' GLU . 72.9 mt -133.14 132.97 42.26 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.509 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -65.22 -39.74 93.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.614 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 38.4 t -99.29 130.88 45.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.51 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 66.0 m -155.01 168.77 25.87 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.768 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -63.25 -41.43 99.06 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 63.8 mtt -79.81 110.1 14.84 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -171.16 76.31 0.06 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.521 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 113.95 -165.6 12.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.44 81.8 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.57 0.224 . . . . 0.0 110.52 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.857 -1.068 . . . . 0.0 110.733 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -125.44 149.56 48.1 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.694 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -88.43 162.39 16.52 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.117 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -91.93 106.34 18.39 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.709 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -106.31 10.43 31.67 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.373 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 p -63.41 -40.24 96.67 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.8 mt -66.85 -42.92 89.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.69 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -66.86 -43.95 82.25 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.923 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.11 -35.59 75.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.405 ' CD1' ' SD ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -56.26 -44.57 79.84 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -61.87 -39.02 90.47 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.617 0.573 . . . . 0.0 110.035 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.6 t -60.71 -43.08 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.34 -37.18 82.36 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.377 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.01 -40.12 94.46 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -36.32 69.93 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.024 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -77.74 -33.33 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.616 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.26 91.16 0.23 Allowed Pre-proline 0 CA--C 1.552 1.041 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.512 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -54.66 -36.17 88.98 Favored 'Trans proline' 0 N--CA 1.505 2.15 0 C-N-CA 122.579 2.186 . . . . 0.0 112.852 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -60.63 -43.79 97.1 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.785 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.9 p -70.19 134.47 48.12 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.265 0.353 . . . . 0.0 110.548 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.18 169.08 12.75 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.5 tt -138.26 144.17 31.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.685 0.279 . . . . 0.0 110.356 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.4 p -75.66 158.87 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.333 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -66.55 -36.11 81.87 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 123.302 0.641 . . . . 0.0 110.605 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -66.07 -42.42 89.43 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 123.675 0.79 . . . . 0.0 110.648 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.24 90.3 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.405 ' SD ' ' CD1' ' A' ' 18' ' ' TYR . 25.4 ttm -62.49 -43.28 99.19 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.51 0.506 . . . . 0.0 110.513 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.77 -38.61 95.51 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.131 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.96 -41.29 92.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.6 mmm -61.11 -37.49 82.94 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.954 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.2 -41.21 96.42 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.8 m -62.34 -37.62 86.34 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.364 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.431 ' CE2' HD21 ' A' ' 186' ' ' LEU . 51.8 t80 -61.68 -43.98 97.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.821 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.84 -46.12 94.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -64.78 -41.19 96.04 Favored 'General case' 0 N--CA 1.464 0.225 0 O-C-N 123.416 0.448 . . . . 0.0 111.041 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.61 -42.48 99.6 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.396 0.435 . . . . 0.0 111.405 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.565 HG22 HD12 ' A' ' 49' ' ' ILE . 26.2 mm -63.44 -42.64 96.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.794 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.42 -43.8 88.85 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 123.409 0.443 . . . . 0.0 110.809 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -62.01 -46.56 88.65 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.479 HH21 HD13 ' A' ' 45' ' ' ILE . 75.3 mtm180 -65.8 -46.72 77.61 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.565 HD12 HG22 ' A' ' 45' ' ' ILE . 94.5 mt -65.8 -43.72 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.062 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.45 87.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.105 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.7 96.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -69.77 -41.42 75.19 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.42 97.4 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.41 0.444 . . . . 0.0 110.279 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.0 t -61.91 -43.19 99.34 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.435 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -64.71 -40.79 95.94 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.483 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.39 -40.1 95.37 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -63.56 -38.64 91.91 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.4 0.438 . . . . 0.0 110.633 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -66.91 -45.22 78.61 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -66.35 -35.46 80.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.522 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -85.2 2.6 43.06 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 53.96 29.59 10.29 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.873 0.368 . . . . 0.0 111.742 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.525 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 84.0 mtt85 -116.34 108.42 16.05 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.358 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.8 m -61.26 -44.58 97.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m -72.42 130.45 40.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.8 mt -99.39 133.87 40.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.6 p -130.43 175.75 8.71 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.161 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.5 p -54.85 -31.64 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.526 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -60.74 -44.26 96.9 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.193 0.308 . . . . 0.0 111.32 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.5 mp0 -66.86 -43.46 83.53 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.186 0.304 . . . . 0.0 110.706 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.527 HD11 ' HB1' ' A' ' 136' ' ' ALA . 87.1 mt -64.01 -42.54 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.815 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -55.94 -42.11 75.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.245 0.341 . . . . 0.0 110.836 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.5 m -62.89 -44.68 95.43 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.35 0.406 . . . . 0.0 110.247 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.67 -38.33 89.01 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.671 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 70' ' ' ILE . 70.0 t -61.95 -44.77 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.24 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.12 -38.44 91.06 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.311 0.382 . . . . 0.0 111.264 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.0 mt -76.26 -31.83 58.51 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.44 0.462 . . . . 0.0 112.226 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.6 mt -79.79 -37.99 34.05 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 78' ' ' LEU . 7.3 mp -102.58 148.07 34.96 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -51.14 179.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.504 2.095 0 C-N-CA 122.43 2.087 . . . . 0.0 111.642 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.71 -47.3 77.68 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 116.38 -0.373 . . . . 0.0 113.14 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.94 -46.77 80.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.863 0.331 . . . . 0.0 111.58 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.85 -41.18 97.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.228 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.26 -39.47 90.49 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.442 0.464 . . . . 0.0 111.374 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -60.13 -46.47 89.54 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.346 0.404 . . . . 0.0 110.515 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -66.91 -36.94 83.4 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 123.575 0.547 . . . . 0.0 111.02 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.64 72.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.41 -41.13 91.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 123.353 0.408 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.2 t -59.32 -48.55 81.22 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.542 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 2.6 mp0 -68.46 -44.15 75.47 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.722 0.809 . . . . 0.0 112.138 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.9 -47.63 45.93 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 121.517 -0.373 . . . . 0.0 113.028 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.8 m -61.01 -47.24 87.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.509 0.195 . . . . 0.0 111.198 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -64.15 -36.93 85.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.108 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.14 94.6 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.9 t -68.04 -42.88 85.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.2 m -59.98 -42.32 93.95 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -60.36 -42.02 94.91 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -62.23 -45.0 95.28 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.3 p -67.86 -37.95 82.48 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.494 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -74.83 -48.93 22.58 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 119.586 -1.946 . . . . 0.0 111.534 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 m -72.48 137.73 46.57 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 118.352 0.524 . . . . 0.0 110.716 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.26 -35.83 1.76 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.78 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.2 m -64.32 -31.22 72.34 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.63 93.34 0.04 OUTLIER 'General case' 0 C--N 1.34 0.157 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -63.44 -39.48 94.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.141 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 16.9 m -67.72 136.25 53.98 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.062 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -60.78 -44.39 96.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.4 p -65.72 -34.85 79.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.193 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.9 t -62.59 -41.41 98.94 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.92 -35.19 77.64 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.39 0.431 . . . . 0.0 110.713 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.407 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -84.27 -29.94 26.03 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.73 25.05 74.97 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.581 HD13 ' HB3' ' A' ' 141' ' ' ALA . 67.7 mt -101.05 137.3 39.6 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -63.78 -41.54 97.94 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.678 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -63.1 143.09 97.69 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.412 ' O ' HG23 ' A' ' 119' ' ' VAL . 27.2 Cg_endo -63.52 102.63 0.35 Allowed 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 122.199 1.933 . . . . 0.0 111.854 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.19 -42.96 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.83 -41.93 96.3 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.298 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -64.6 -37.98 89.42 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.591 0.195 . . . . 0.0 111.409 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 115' ' ' PRO . 97.2 t -59.67 -43.3 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -57.3 -44.24 83.91 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.431 0.457 . . . . 0.0 110.5 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -66.71 -37.24 84.3 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.21 -41.51 96.97 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.502 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.44 -46.02 91.56 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.232 0.332 . . . . 0.0 110.71 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 -70.91 -36.26 72.61 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.776 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.44 -38.61 90.44 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.371 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.68 -1.87 33.16 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 58.16 30.42 19.35 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.817 0.309 . . . . 0.0 111.351 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -68.16 -42.02 80.66 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.589 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 38.0 p -153.09 158.84 42.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.621 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -70.06 -35.99 74.64 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.827 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -124.31 142.74 51.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.988 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.08 137.65 55.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.482 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -82.63 169.42 48.95 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.81 -40.81 15.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.769 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.55 -21.1 62.22 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.524 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.527 ' HB1' HD11 ' A' ' 70' ' ' ILE . . . -68.47 -61.15 4.06 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 118.923 -0.561 . . . . 0.0 110.578 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 17.1 Cg_endo -57.7 -33.77 97.22 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.696 1.597 . . . . 0.0 111.416 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.407 HG13 ' HB1' ' A' ' 110' ' ' ALA . 91.9 t -66.11 -46.52 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -64.34 -47.31 79.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.152 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.442 HD13 HG21 ' A' ' 49' ' ' ILE . 35.6 tp -62.69 -41.31 99.04 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.781 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.581 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -58.58 -40.88 84.39 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -66.1 -39.77 90.25 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.345 0.403 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.28 -45.76 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.301 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.83 -40.55 95.69 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.384 0.427 . . . . 0.0 110.833 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -61.59 -40.27 94.17 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.399 0.437 . . . . 0.0 110.178 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -61.72 -47.63 84.4 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.334 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.76 -42.33 99.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.48 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.1 m -63.41 -45.07 92.7 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.214 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' C' ' 697' ' ' TYR . . . -63.25 -40.99 99.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.801 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -67.94 -43.07 79.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.381 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.56 -42.98 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 O-C-N 123.299 0.375 . . . . 0.0 110.014 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.44 -41.18 98.54 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.601 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -67.51 -41.69 84.04 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.185 0.303 . . . . 0.0 110.697 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.579 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 64.8 mt -63.57 -41.33 98.41 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.357 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.474 ' HB2' HD23 ' A' ' 172' ' ' LEU . . . -61.09 -36.57 80.02 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.466 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.63 -38.61 95.9 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -61.56 -42.88 99.48 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 121.199 -0.2 . . . . 0.0 110.505 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.24 90.35 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.16 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.57 91.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.407 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -61.16 -39.95 92.02 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.375 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.6 -34.02 76.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.402 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -91.71 10.72 27.15 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.721 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 55.62 49.29 16.78 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.142 0.496 . . . . 0.0 111.108 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -134.77 145.57 48.53 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 12.2 p -98.39 -19.42 17.74 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.265 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -88.89 148.01 24.06 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.409 HG23 ' HB1' ' A' ' 155' ' ' ALA . 63.0 mt -103.19 129.83 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 13.2 pt -125.23 160.93 52.65 Favored Pre-proline 0 N--CA 1.473 0.713 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.165 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -51.02 -31.76 36.09 Favored 'Trans proline' 0 N--CA 1.506 2.212 0 C-N-CA 122.249 1.966 . . . . 0.0 111.942 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -63.9 -39.77 94.97 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -67.46 -43.55 80.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.345 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 155' ' ' ALA . 55.7 mt -61.79 -42.33 98.87 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.61 0.569 . . . . 0.0 111.01 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -66.37 -42.24 88.3 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.241 0.338 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.4 -43.5 98.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.025 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -64.74 -45.55 85.97 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 123.446 0.466 . . . . 0.0 111.065 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.87 -44.31 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.048 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -68.15 -23.33 64.87 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 123.443 0.464 . . . . 0.0 111.04 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -79.25 -17.07 55.46 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -109.8 121.25 44.81 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -65.82 -40.03 91.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.802 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -62.99 -46.79 86.03 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.286 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.13 -38.4 90.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.557 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -60.9 -40.7 94.07 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.279 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -61.71 -45.3 94.54 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.078 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 39.3 tp -65.89 -40.73 91.84 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.389 0.43 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.431 HD21 ' CE2' ' A' ' 41' ' ' PHE . 78.9 mt -92.83 20.58 6.41 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.956 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.64 -39.35 75.27 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -93.01 14.49 17.57 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 70.4 t -122.88 130.67 74.32 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 6.9 t -128.82 144.71 51.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.542 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 64.7 mt -126.04 123.75 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.879 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -136.48 152.22 50.31 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.566 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.05 132.2 49.86 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.384 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.748 0 CA-C-O 117.954 -1.47 . . . . 0.0 110.927 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -98.34 130.35 45.01 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.743 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.6 pt -129.96 162.72 37.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.955 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.473 ' CD1' HG22 ' B' ' 14' ' ' THR . 96.9 m-85 -114.06 140.09 48.75 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.121 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.6 t -120.29 127.27 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -113.56 153.0 29.52 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 73.3 p -121.91 160.74 24.15 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.28 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.82 -23.57 65.19 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.4 p -69.6 -19.38 63.65 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 120.482 -1.386 . . . . 0.0 111.352 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.86 15.51 26.34 Favored Glycine 0 C--N 1.352 1.463 0 O-C-N 121.436 -0.79 . . . . 0.0 112.754 -171.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -101.31 125.2 47.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.092 0.446 . . . . 0.0 109.892 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -119.68 128.75 54.1 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.151 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 pt -125.79 136.33 61.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.537 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.473 HG22 ' CD1' ' B' ' 4' ' ' PHE . 51.9 p -79.34 142.44 36.06 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.5 tp -139.22 140.35 37.72 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 123.951 0.9 . . . . 0.0 110.868 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -110.27 114.43 27.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.772 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -136.82 162.46 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.169 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -110.0 150.45 41.44 Favored Pre-proline 0 CA--C 1.547 0.842 0 O-C-N 123.173 0.296 . . . . 0.0 110.49 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -53.15 -37.89 80.37 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 122.327 2.018 . . . . 0.0 112.489 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -71.37 -19.22 62.3 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.298 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.01 141.74 57.47 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.12 0.263 . . . . 0.0 110.56 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.417 HG22 HG22 ' B' ' 55' ' ' THR . 20.6 p -82.21 163.5 21.85 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.912 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.54 -41.1 91.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.51 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -53.29 -41.65 65.8 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -63.9 -40.34 96.27 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.289 0.368 . . . . 0.0 110.168 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.66 -44.1 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.837 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.46 -39.53 91.19 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.83 89.61 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.294 0.371 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.17 -39.55 94.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.263 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.32 -42.9 98.05 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -57.01 -36.61 70.63 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -67.06 -39.69 86.91 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.194 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.14 -31.76 19.0 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -96.1 -40.63 9.13 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.811 2.044 . . . . 0.0 114.95 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.72 21.44 50.73 Favored Glycine 0 C--N 1.356 1.659 0 C-N-CA 124.556 1.074 . . . . 0.0 111.764 -169.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -99.11 124.06 46.66 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 119.134 -0.46 . . . . 0.0 110.001 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -54.37 137.57 71.98 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.104 1.869 . . . . 0.0 112.301 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.36 -29.22 79.29 Favored 'Trans proline' 0 N--CA 1.502 1.983 0 C-N-CA 122.27 1.98 . . . . 0.0 112.511 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.432 ' HB3' ' HA3' ' B' ' 76' ' ' GLY . 81.8 m-20 -65.53 -38.69 90.38 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 118.069 -1.453 . . . . 0.0 108.435 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -90.41 8.41 33.8 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.297 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -99.47 137.86 37.37 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -117.93 126.73 52.9 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.599 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.452 ' HB3' HD12 ' B' ' 50' ' ' LEU . 61.2 mt -111.98 135.89 52.03 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.506 HD11 HD12 ' C' ' 676' ' ' LEU . 94.8 mt -129.69 138.76 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 O-C-N 123.542 0.526 . . . . 0.0 110.538 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -123.86 123.45 40.47 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.757 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.71 28.84 14.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.667 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.76 15.11 76.32 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 116.437 -0.347 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -112.77 133.87 54.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 117.021 0.41 . . . . 0.0 110.113 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -63.27 146.67 52.95 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' B' ' 43' ' ' LEU . 72.8 mt -114.81 139.43 49.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.152 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -90.85 139.06 31.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -64.81 -40.88 95.92 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.341 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.25 3.05 41.63 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-N 116.117 -0.492 . . . . 0.0 113.711 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -106.21 161.54 14.44 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 117.35 0.575 . . . . 0.0 110.908 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.417 HG22 HG22 ' B' ' 22' ' ' THR . 69.6 p -100.08 164.13 12.12 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.731 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.87 -39.57 94.82 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.435 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -57.43 -30.62 65.14 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.709 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -61.54 -36.34 80.29 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.088 0.242 . . . . 0.0 111.31 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -91.7 9.54 32.04 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 23.7 m120 54.87 37.42 28.61 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -79.51 130.12 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -105.51 175.5 5.47 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.826 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -66.56 162.77 20.16 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.214 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 54.36 43.3 30.66 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.095 0.474 . . . . 0.0 110.459 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 33.9 t -108.35 146.04 33.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.294 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.1 m -99.39 124.38 44.47 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -112.47 126.09 54.94 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.245 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -82.89 143.8 30.5 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.741 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.3 tp -111.07 126.37 54.74 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.324 0.583 . . . . 0.0 112.1 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.688 ' CG2' ' HB1' ' C' ' 673' ' ' ALA . 19.6 t -130.71 163.94 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.467 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.4 tp -102.82 123.18 45.99 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.605 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -91.56 125.13 36.19 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.563 HD12 ' C ' ' C' ' 680' ' ' PHE . 63.0 mt -98.12 -23.43 15.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.64 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -95.46 138.0 33.75 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.706 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.02 156.28 28.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . 0.432 ' HA3' ' HB3' ' B' ' 39' ' ' ASP . . . . . . . . 0 CA--C 1.527 0.824 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -58.91 -38.77 79.68 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.469 0.176 . . . . 0.0 110.536 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 59.9 mtt -82.77 148.74 27.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -156.36 87.22 2.94 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.23 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.99 -19.23 46.1 Favored 'Trans proline' 0 N--CA 1.502 2.028 0 C-N-CA 122.121 1.88 . . . . 0.0 112.802 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.485 HG12 ' CE ' ' C' ' 659' ' ' MET . 50.3 t -64.28 -42.34 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.423 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 29.6 mt -60.68 -44.15 96.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.17 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -64.6 -39.58 93.99 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.22 0.325 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.82 -39.84 79.82 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.485 ' CE ' HG12 ' C' ' 655' ' ' VAL . 74.5 mtm -64.9 -39.25 93.24 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.19 -43.71 94.25 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 123.196 0.31 . . . . 0.0 110.91 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -64.48 -44.96 89.34 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.99 -41.62 86.43 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.13 -39.25 94.13 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.787 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -61.87 -43.16 99.41 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.318 0.386 . . . . 0.0 110.774 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -67.18 -40.16 86.52 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -66.57 -45.1 80.38 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.397 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.14 -32.72 72.27 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -59.77 -43.42 94.35 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.27 -37.8 88.79 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.474 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 72.2 mtp85 -64.09 -40.85 97.13 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.405 0.441 . . . . 0.0 111.199 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.62 -46.83 86.43 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.235 0.334 . . . . 0.0 110.113 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.509 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.1 tm? -66.43 -41.54 89.05 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.688 ' HB1' ' CG2' ' B' ' 70' ' ' VAL . . . -59.51 -41.34 89.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.89 -38.09 87.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.922 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -61.58 -43.39 98.95 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.506 HD12 HD11 ' B' ' 44' ' ' ILE . 72.7 mt -64.65 -41.56 96.03 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -59.48 -42.67 92.64 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -71.02 -42.75 69.15 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.357 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 49.2 mtm -63.21 -44.23 95.9 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.15 0.281 . . . . 0.0 111.439 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.563 ' C ' HD12 ' B' ' 73' ' ' LEU . 25.3 m-85 -62.5 -41.87 99.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.178 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.55 -33.84 73.35 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.412 0.445 . . . . 0.0 110.416 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -60.49 -40.43 91.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.385 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -54.91 -37.44 66.37 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.453 0.471 . . . . 0.0 110.348 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.53 ' HD2' HD13 ' B' ' 73' ' ' LEU . 79.0 mtp180 -64.0 -33.49 75.85 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.867 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 71.53 59.43 0.16 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.894 0.746 . . . . 0.0 110.494 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 39.7 m -127.57 129.99 48.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.119 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 18.3 t -72.17 103.72 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.093 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 30.4 p -76.83 163.46 26.75 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.696 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -120.17 -176.48 3.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.389 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -46.28 128.56 9.86 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.048 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -64.54 -41.53 96.3 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.581 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -62.51 151.01 46.92 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 58.1 m -132.36 157.26 44.94 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.555 0.217 . . . . 0.0 110.508 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 15.0 p -120.77 132.99 68.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.153 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 53.49 98.32 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.92 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -58.77 -46.59 87.15 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.295 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.446 ' HB3' ' HB1' ' A' ' 149' ' ' ALA . 36.6 m-85 -117.63 141.9 47.84 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.126 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 60.7 mt -74.68 140.9 44.53 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.628 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 59.3 mt -129.7 155.21 46.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -117.42 118.7 32.94 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 10.3 t -152.91 94.28 1.84 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 18.2 t -64.59 -40.57 95.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.47 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -90.72 142.98 27.2 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.565 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 75.2 mtm -63.64 -42.59 98.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -150.97 148.63 28.62 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.535 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -67.72 -36.76 88.07 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.9 74.69 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.484 0.183 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 59.7 tttm . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.383 179.816 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -115.3 157.44 23.79 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.626 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -78.32 175.49 10.19 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.898 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 t -103.46 97.06 7.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.73 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -105.29 -2.53 23.88 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.712 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.8 p -63.09 -41.54 99.43 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.7 mt -65.93 -42.8 92.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.673 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -64.89 -43.8 91.7 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.137 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' CG2' ' A' ' 148' ' ' THR . 8.1 p -63.9 -38.24 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.414 ' CD2' ' HE1' ' A' ' 35' ' ' MET . 2.8 t80 -57.5 -40.1 77.94 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 123.383 0.427 . . . . 0.0 109.986 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.98 -42.08 98.74 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.182 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.562 HG22 ' HH ' ' C' ' 697' ' ' TYR . 76.9 t -59.9 -42.3 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.071 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.597 HD22 ' HB ' ' A' ' 30' ' ' ILE . 44.8 tp -61.98 -37.94 86.7 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.638 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -62.99 -38.2 90.2 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -37.09 21.84 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.631 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 21' ' ' LEU . 3.3 p -79.2 -34.83 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -151.19 78.26 7.22 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.521 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.26 -41.74 73.35 Favored 'Trans proline' 0 N--CA 1.503 2.05 0 C-N-CA 122.349 2.033 . . . . 0.0 113.141 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -67.9 -45.79 73.42 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 m -86.11 127.35 34.68 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.0 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.75 -173.59 30.65 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.597 ' HB ' HD22 ' A' ' 21' ' ' LEU . 16.1 tt -129.21 142.15 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.401 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 t -80.02 154.51 28.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.124 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -58.58 -30.89 67.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 121.202 -0.936 . . . . 0.0 109.781 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.91 -46.04 79.72 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 120.448 0.166 . . . . 0.0 110.826 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB3' ' CG1' ' A' ' 30' ' ' ILE . . . -66.67 -37.01 83.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.414 ' HE1' ' CD2' ' A' ' 18' ' ' TYR . 4.1 ttt -62.37 -43.55 98.56 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.403 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.62 84.43 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.78 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.9 -43.21 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.522 ' SD ' HD21 ' A' ' 152' ' ' LEU . 67.6 mtp -62.72 -38.26 89.78 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.199 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -61.97 -41.86 98.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.919 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 m -65.17 -35.2 80.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.445 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CE1' HD21 ' A' ' 186' ' ' LEU . 60.7 t80 -61.49 -44.1 97.69 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -59.93 -45.03 95.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -63.56 -41.69 98.4 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.503 0.502 . . . . 0.0 111.182 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.88 -44.79 91.98 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.349 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.465 HG22 HD12 ' A' ' 49' ' ' ILE . 36.4 mm -63.18 -42.46 96.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.473 ' CZ ' HD23 ' A' ' 122' ' ' LEU . 83.1 t80 -57.41 -45.66 84.35 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.374 0.421 . . . . 0.0 110.622 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.46 -43.61 89.8 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.357 0.411 . . . . 0.0 111.798 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -63.57 -46.33 86.34 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.203 0.314 . . . . 0.0 111.451 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.465 HD12 HG22 ' A' ' 45' ' ' ILE . 89.7 mt -66.91 -43.08 89.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.2 82.66 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.29 -43.05 95.81 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -66.95 -43.77 82.29 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.64 94.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.2 t -62.39 -44.31 96.75 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.49 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -62.72 -41.8 99.33 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.067 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.35 -42.41 98.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.637 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.53 82.64 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 123.315 0.384 . . . . 0.0 110.356 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -66.33 -42.4 88.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.332 -0.394 . . . . 0.0 109.962 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -60.05 -42.24 94.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.974 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -91.36 -0.98 57.73 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 54.93 41.44 31.9 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 111.283 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -100.93 117.51 35.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.263 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.0 m -62.76 -39.08 93.05 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.431 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.6 m -99.47 136.8 38.88 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.9 mt -97.37 134.37 35.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.8 p -125.37 176.11 7.01 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.079 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.3 m -54.98 -32.5 61.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.814 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.44 -43.65 96.61 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.051 0.219 . . . . 0.0 111.502 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mp0 -66.38 -43.05 87.01 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 74' ' ' VAL . 86.7 mt -65.03 -39.51 85.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.611 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.633 ' NE2' HG22 ' A' ' 87' ' ' VAL . 59.6 tp60 -55.36 -47.18 76.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.092 0.245 . . . . 0.0 110.666 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.9 m -62.05 -44.16 97.27 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.204 0.315 . . . . 0.0 110.182 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.08 97.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.982 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 70' ' ' ILE . 87.7 t -64.93 -45.32 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -62.72 -38.44 90.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.62 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.54 -33.36 69.07 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.1 mt -85.26 -35.91 21.24 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.8 mp -88.66 135.4 32.38 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -51.46 179.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.504 2.115 0 C-N-CA 122.327 2.018 . . . . 0.0 111.861 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.71 75.6 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-O 120.095 -0.281 . . . . 0.0 113.172 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -68.74 -41.35 79.08 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.942 0.371 . . . . 0.0 111.702 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.2 -41.49 99.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.204 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -64.7 -41.2 96.18 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 123.409 0.443 . . . . 0.0 111.624 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.92 -48.69 80.67 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.249 0.343 . . . . 0.0 110.862 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -72.12 -36.45 69.42 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.434 0.459 . . . . 0.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.83 85.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.311 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 83' ' ' ALA . 65.8 t -60.68 -45.07 98.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.247 -179.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.9 m -64.22 -40.01 95.16 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.46 -48.19 76.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.366 1.067 . . . . 0.0 111.913 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.69 -44.77 47.74 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.2 m -61.18 -46.82 88.91 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.353 0.12 . . . . 0.0 111.148 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -63.01 -37.25 86.41 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.481 0.488 . . . . 0.0 110.945 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.97 86.22 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.6 t -69.21 -40.51 80.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.1 m -59.64 -43.99 93.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.325 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -60.05 -38.27 82.31 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 123.292 0.37 . . . . 0.0 110.103 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -60.92 -45.58 94.1 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 m -64.9 -42.58 94.64 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.574 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.6 t -73.44 -35.38 65.77 Favored 'General case' 0 N--CA 1.439 -1.001 0 O-C-N 121.569 -0.707 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.4 m -98.97 110.55 23.14 Favored 'General case' 0 C--N 1.344 0.367 0 O-C-N 121.807 -0.558 . . . . 0.0 110.975 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.99 -20.43 9.37 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.809 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.4 p -63.64 -33.01 74.66 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.786 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.571 ' HB3' ' CG ' ' A' ' 109' ' ' ARG . . . -48.0 138.37 9.17 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.349 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -84.57 -55.62 4.03 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.152 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.9 m -77.87 159.03 29.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.45 -42.01 88.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.5 p -65.41 -32.77 74.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.466 ' HB3' ' HB1' ' A' ' 103' ' ' ALA . 45.3 t -62.67 -41.2 98.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.969 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.571 ' CG ' ' HB3' ' A' ' 103' ' ' ALA . 99.8 mtt180 -63.91 -35.77 81.75 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.17 -36.21 40.72 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.68 28.28 43.5 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 141' ' ' ALA . 76.4 mt -107.6 140.72 40.19 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.588 0.232 . . . . 0.0 110.473 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -66.82 -40.43 88.04 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.78 146.25 95.01 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.639 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 119' ' ' VAL . 38.6 Cg_endo -69.41 103.1 1.05 Allowed 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 121.993 1.796 . . . . 0.0 112.131 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 138' ' ' VAL . 83.5 t -64.68 -42.31 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.422 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.64 -42.42 97.82 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -65.36 -37.43 87.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.55 0.175 . . . . 0.0 111.312 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 115' ' ' PRO . 86.1 t -60.18 -45.49 95.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -58.52 -47.72 83.2 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.276 0.36 . . . . 0.0 110.531 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.56 -37.68 83.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.473 HD23 ' CZ ' ' A' ' 46' ' ' PHE . 14.8 tp -61.0 -42.58 98.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.15 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.4 mt -61.97 -42.42 99.11 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.245 0.341 . . . . 0.0 110.738 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -64.64 -40.94 96.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.51 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.84 -39.56 94.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.12 -4.49 22.45 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 57.08 30.71 18.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.863 0.331 . . . . 0.0 111.619 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -68.62 -39.87 80.63 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.421 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.2 p -151.48 161.47 42.64 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.564 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.31 -39.32 82.05 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -136.49 149.69 48.31 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.009 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.55 137.17 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -74.64 -176.21 36.16 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -90.08 -52.5 4.92 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.732 0.301 . . . . 0.0 110.686 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.34 -27.51 69.46 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.496 ' HB3' ' CD ' ' A' ' 137' ' ' PRO . . . -58.75 -62.09 6.43 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.474 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.496 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 17.7 Cg_endo -60.12 -32.22 94.35 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 C-N-CA 121.877 1.718 . . . . 0.0 111.593 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.523 HG22 HG11 ' A' ' 116' ' ' VAL . 89.5 t -64.54 -44.16 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.44 -45.92 91.92 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 46' ' ' PHE . 42.0 tp -61.34 -41.12 96.52 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.49 0.494 . . . . 0.0 110.288 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.466 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -60.02 -39.13 84.79 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.4 0.438 . . . . 0.0 110.664 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.0 -40.17 94.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.8 -46.36 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.919 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 73.3 mt -63.46 -41.45 98.63 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.433 0.458 . . . . 0.0 110.64 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -62.63 -43.6 98.4 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.35 -48.15 81.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.74 -41.07 98.09 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.416 ' CG2' HG23 ' A' ' 17' ' ' VAL . 84.5 m -61.85 -46.05 91.15 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.685 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.96 83.58 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.561 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.45 -42.73 82.62 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.488 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.62 -43.65 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 123.295 0.372 . . . . 0.0 110.138 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.522 HD21 ' SD ' ' A' ' 38' ' ' MET . 86.3 mt -62.92 -40.28 97.13 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.764 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.97 -48.39 82.06 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.164 0.29 . . . . 0.0 110.792 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.627 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 79.9 mt -64.14 -41.36 97.23 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.478 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.629 ' HB1' HG23 ' A' ' 167' ' ' ILE . . . -62.44 -37.25 85.16 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.386 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.66 -41.46 99.59 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -62.87 -42.38 99.74 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.15 86.65 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.13 -36.92 85.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.86 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -62.09 -43.0 99.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.129 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -67.1 -23.2 65.81 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.976 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -96.14 12.46 30.69 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.851 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 56.13 38.37 29.8 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.022 0.439 . . . . 0.0 111.16 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -115.5 147.79 40.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.581 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 42.9 p -107.01 22.62 15.71 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.397 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -144.98 144.03 30.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.291 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.629 HG23 ' HB1' ' A' ' 155' ' ' ALA . 64.0 mt -96.23 125.75 49.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 25.2 pt -120.13 166.2 15.83 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.221 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.77 -34.43 54.49 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.325 2.017 . . . . 0.0 112.191 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.69 -43.07 99.75 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -64.74 -43.81 92.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 155' ' ' ALA . 62.1 mt -62.13 -42.3 99.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.944 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -65.68 -41.79 92.01 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.266 0.354 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.44 -43.16 98.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.205 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.627 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -65.48 -45.57 83.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.551 HD13 ' CD1' ' A' ' 186' ' ' LEU . 97.4 mt -64.75 -43.94 96.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.237 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -64.64 -34.21 77.76 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -76.32 -16.03 59.85 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.239 0.337 . . . . 0.0 111.758 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -106.79 113.36 26.81 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -60.92 -40.16 92.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.327 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.87 -48.2 82.89 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.283 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.94 -34.78 78.75 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.099 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.21 -39.63 87.25 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 123.579 0.549 . . . . 0.0 109.734 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -45.22 93.76 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 123.243 0.34 . . . . 0.0 110.329 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.4 tp -64.89 -41.17 95.85 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.551 ' CD1' HD13 ' A' ' 176' ' ' ILE . 89.1 mt -98.4 20.8 12.04 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.166 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.33 -33.9 72.48 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -94.11 5.82 50.51 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 74.0 t -129.98 125.65 60.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 41.7 m -124.6 129.78 51.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.756 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 71.4 mt -121.38 128.07 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.932 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -167.44 -59.38 0.03 OUTLIER 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.675 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 59.25 161.71 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.982 -1.454 . . . . 0.0 110.98 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.4 ttp . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -105.45 135.78 46.21 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.311 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.402 HD13 HG21 ' B' ' 17' ' ' VAL . 29.9 pt -133.22 158.15 42.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.232 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -114.24 133.73 55.42 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.9 t -111.36 125.06 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -111.8 152.34 27.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.141 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -125.78 166.7 16.34 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.709 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.77 -20.14 65.89 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.364 0.415 . . . . 0.0 111.195 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 55.6 p -69.56 -24.67 63.74 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 120.072 -1.643 . . . . 0.0 111.199 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.23 2.58 38.59 Favored Glycine 0 C--N 1.356 1.65 0 O-C-N 121.245 -0.909 . . . . 0.0 112.795 -174.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -89.02 151.75 22.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 117.214 0.507 . . . . 0.0 110.141 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -132.2 132.84 43.52 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.427 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 pt -124.78 136.6 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.11 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -80.63 133.19 35.7 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 tp -137.24 140.23 41.52 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 122.047 -0.408 . . . . 0.0 110.765 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -107.07 117.62 34.55 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.26 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.402 HG21 HD13 ' B' ' 3' ' ' ILE . 32.1 m -137.73 160.9 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.904 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -103.05 150.13 37.54 Favored Pre-proline 0 CA--C 1.544 0.734 0 O-C-N 123.318 0.386 . . . . 0.0 110.54 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.75 -30.51 89.4 Favored 'Trans proline' 0 N--CA 1.505 2.175 0 C-N-CA 122.374 2.049 . . . . 0.0 112.513 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 25.0 t -79.82 -17.0 54.39 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.58 149.88 47.98 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.025 0.203 . . . . 0.0 110.801 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 17.3 p -85.2 158.94 20.22 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.2 mm -65.11 -42.2 93.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.935 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.7 -39.94 68.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.186 0.304 . . . . 0.0 110.298 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -64.05 -39.18 93.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.149 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 66.9 t -61.31 -43.49 96.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.769 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' B' ' 30' ' ' ILE . 53.3 mttp -58.83 -40.2 83.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.69 87.51 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 123.289 0.368 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.88 -38.8 92.34 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.196 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 27' ' ' LYS . 84.7 mt -62.44 -42.05 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -57.29 -36.97 71.72 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.21 -35.28 80.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.249 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -91.16 -35.26 14.65 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.694 ' HB3' HG12 ' B' ' 36' ' ' ILE . 33.1 mm-40 -101.71 -39.58 7.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.558 1.943 . . . . 0.0 116.128 174.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.12 31.19 20.76 Favored Glycine 0 C--N 1.356 1.662 0 C-N-CA 124.498 1.047 . . . . 0.0 111.779 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.694 HG12 ' HB3' ' B' ' 34' ' ' GLU . 32.2 mm -93.31 116.56 66.66 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-O 118.948 -0.549 . . . . 0.0 110.703 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -43.88 113.64 0.44 Allowed 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.39 2.06 . . . . 0.0 111.646 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -52.52 -39.32 74.97 Favored 'Trans proline' 0 N--CA 1.505 2.179 0 C-N-CA 122.401 2.067 . . . . 0.0 113.175 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -66.92 -35.12 79.28 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 118.521 -1.272 . . . . 0.0 108.528 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -87.36 11.43 14.48 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.967 -171.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -128.0 149.66 50.26 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.658 0.266 . . . . 0.0 110.89 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -115.87 144.43 44.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.122 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 43' ' ' LEU . 38.0 mt -111.5 129.94 55.88 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.639 HD11 HD12 ' C' ' 676' ' ' LEU . 90.1 mt -124.43 131.37 72.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.875 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.444 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 82.6 t80 -126.8 123.77 38.15 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 71.94 14.46 5.83 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.082 0.238 . . . . 0.0 110.897 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.66 14.98 64.41 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 120.179 -0.234 . . . . 0.0 113.549 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -124.26 136.21 53.97 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -54.25 161.64 1.27 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.5 mt -124.88 136.37 53.73 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.471 0.482 . . . . 0.0 111.082 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -82.69 134.73 35.14 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.68 -39.27 93.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.888 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.5 -12.94 77.59 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-N 115.978 -0.555 . . . . 0.0 113.144 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -91.54 157.42 17.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 117.258 0.529 . . . . 0.0 110.984 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -102.06 167.43 10.03 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.604 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.3 -41.83 97.64 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -57.96 -31.03 66.49 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.357 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -61.71 -35.25 77.48 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.242 0.339 . . . . 0.0 111.131 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -92.1 13.1 19.88 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.335 0.397 . . . . 0.0 111.89 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 55.7 46.5 22.45 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.125 0.488 . . . . 0.0 111.044 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.8 mt -93.24 124.71 45.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -107.95 -175.36 2.76 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.883 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -53.64 147.52 11.22 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.356 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 58.86 86.04 0.09 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.394 0.433 . . . . 0.0 110.315 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 81.2 p -130.92 156.49 44.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.504 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.8 m -115.11 122.5 46.32 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.337 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 86.3 mt -115.74 129.0 56.29 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.135 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -94.77 147.6 23.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.148 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.2 tp -110.54 129.86 55.7 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.162 0.506 . . . . 0.0 111.459 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.687 HG22 ' HB1' ' C' ' 673' ' ' ALA . 21.5 t -128.74 165.08 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.523 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.496 ' N ' HG12 ' B' ' 70' ' ' VAL . 13.3 tp -108.74 116.27 31.66 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -86.01 134.04 33.88 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' C' ' 684' ' ' ARG . 43.7 mt -116.37 70.06 0.76 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.061 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -141.33 144.33 34.52 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.755 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.46 -166.52 34.31 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.614 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -120.84 29.19 7.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 65.3 mtt -95.98 19.92 10.84 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.245 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 653' ' ' ASP . . . . . 0.531 ' HB2' HD12 ' C' ' 656' ' ' LEU . 0.3 OUTLIER -72.95 138.91 79.55 Favored Pre-proline 0 CA--C 1.551 1.007 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.408 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -55.94 -39.27 92.2 Favored 'Trans proline' 0 N--CA 1.507 2.313 0 C-N-CA 122.745 2.296 . . . . 0.0 112.852 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.486 HG12 ' CE ' ' C' ' 659' ' ' MET . 57.6 t -59.9 -40.16 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.353 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.556 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 41.6 mt -60.16 -42.05 94.12 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.153 0.283 . . . . 0.0 110.493 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -63.84 -41.86 97.72 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 123.333 0.395 . . . . 0.0 110.269 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.28 -38.78 85.63 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.617 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.556 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 72.2 mtm -65.37 -37.43 86.99 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.62 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -60.97 -44.4 97.37 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.189 0.306 . . . . 0.0 110.627 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.93 -44.68 92.14 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 123.425 0.453 . . . . 0.0 110.584 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -65.45 -39.16 91.72 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.804 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 24.5 mt -63.46 -36.74 84.75 Favored 'General case' 0 CA--C 1.527 0.076 0 O-C-N 123.443 0.464 . . . . 0.0 110.659 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -61.43 -44.65 96.75 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.25 0.344 . . . . 0.0 110.329 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -74.66 -37.35 62.75 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.571 0.544 . . . . 0.0 110.782 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -64.03 -45.88 86.92 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.232 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -64.23 -35.25 80.22 Favored 'General case' 0 CA--C 1.52 -0.174 0 O-C-N 123.484 0.49 . . . . 0.0 110.572 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.82 -46.19 91.5 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.0 -38.51 75.98 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.044 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -64.57 -39.53 93.91 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.701 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -64.62 -45.57 86.32 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.198 0.311 . . . . 0.0 110.268 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.468 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -67.03 -41.18 87.01 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.687 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -62.66 -38.67 91.21 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.633 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.99 -38.22 87.78 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.048 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.26 -42.25 99.17 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.315 0.384 . . . . 0.0 110.266 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.639 HD12 HD11 ' B' ' 44' ' ' ILE . 85.2 mt -64.23 -43.34 95.23 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.278 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -60.09 -42.57 94.9 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.168 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -70.31 -41.53 73.16 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.58 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 49.7 mtm -63.49 -46.42 86.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.548 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.454 ' C ' HD12 ' B' ' 73' ' ' LEU . 37.7 m-85 -65.05 -40.54 94.88 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.29 -34.91 79.05 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.767 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.63 -37.28 86.74 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.749 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -54.21 -44.08 71.32 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.16 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.552 ' CZ ' HD22 ' B' ' 73' ' ' LEU . 87.2 mtt180 -65.89 -38.85 89.83 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.692 0.62 . . . . 0.0 111.245 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 50.65 94.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.032 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 18.7 p -114.46 159.08 20.74 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.76 -44.54 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.025 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 28.3 m -106.74 157.18 17.92 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.366 0.416 . . . . 0.0 110.882 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -73.85 148.49 42.33 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.299 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -90.4 -4.19 57.21 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.445 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.96 -41.0 99.39 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-O 120.492 0.187 . . . . 0.0 110.579 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 77.74 -129.88 9.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 45.0 p -143.91 165.13 28.6 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.563 0.221 . . . . 0.0 110.511 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.52 -46.71 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.93 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -91.76 111.02 22.38 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -84.93 -34.92 22.39 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.518 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.562 ' HH ' HG22 ' A' ' 20' ' ' VAL . 31.4 m-85 -79.09 138.13 37.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.259 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 22.8 tp -92.35 139.7 30.34 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.186 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 70.2 mt -130.89 151.08 51.69 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.206 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -60.68 -35.82 77.2 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 24.4 t -58.7 -41.49 86.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.564 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 15.4 m -91.17 82.74 5.5 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 123.441 0.463 . . . . 0.0 110.549 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -64.47 -44.1 92.09 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 62.5 mtt -67.02 -38.38 85.82 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.7 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 53.78 55.96 7.79 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.715 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 125.44 151.45 7.98 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.69 97.2 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.592 0.234 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.561 179.754 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -130.47 148.22 52.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.67 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -112.68 122.4 47.55 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 p -104.98 81.33 1.72 Allowed 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.246 0.546 . . . . 0.0 110.133 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -99.56 30.23 3.69 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.361 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.453 ' O ' HG12 ' A' ' 17' ' ' VAL . 68.4 m -59.98 -42.91 95.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.031 0.443 . . . . 0.0 110.355 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.14 -42.05 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -64.07 -43.43 95.49 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.047 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 14' ' ' SER . 11.9 p -62.45 -36.44 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -57.51 -42.14 82.21 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.51 -42.1 91.44 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.596 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.15 -40.85 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.548 ' HA ' HG12 ' A' ' 24' ' ' VAL . 33.2 tp -59.93 -36.12 76.37 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.794 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -65.49 -38.71 90.55 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -35.95 34.86 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.113 -178.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 21' ' ' LEU . 3.4 p -79.54 -35.49 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -176.5 91.76 0.26 Allowed Pre-proline 0 CA--C 1.548 0.884 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.37 -23.15 38.49 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.227 1.951 . . . . 0.0 113.148 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -66.28 -38.85 88.77 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.656 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.431 ' O ' HD21 ' A' ' 21' ' ' LEU . 17.2 p -89.06 138.95 30.95 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.925 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.02 179.19 23.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 17.8 tt -138.17 142.44 35.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 p -81.97 159.19 23.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.302 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.0 m -62.58 -33.3 74.69 Favored 'General case' 0 CA--C 1.499 -1.018 0 C-N-CA 124.184 0.994 . . . . 0.0 110.51 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.55 -40.02 92.38 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 123.498 0.719 . . . . 0.0 110.222 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 172' ' ' LEU . . . -64.35 -35.61 81.43 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.066 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.7 mmm -61.3 -44.39 97.29 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.899 0.38 . . . . 0.0 110.017 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.42 -41.72 99.75 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.92 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.81 -44.36 98.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.25 -35.29 80.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.367 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.17 -41.19 99.19 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -68.45 -32.54 72.62 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CZ ' HD11 ' A' ' 151' ' ' ILE . 62.8 t80 -60.76 -43.91 97.42 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.95 -43.37 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.941 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -63.15 -41.6 99.31 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.526 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.26 -48.58 81.12 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.172 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.556 HD13 HD13 ' A' ' 147' ' ' LEU . 96.6 mt -64.7 -41.89 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.953 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.41 ' CD1' HD21 ' A' ' 140' ' ' LEU . 92.2 t80 -56.14 -47.26 78.52 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.672 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -67.63 -41.86 83.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.174 0.296 . . . . 0.0 111.554 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -63.71 -45.98 87.51 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.211 0.319 . . . . 0.0 111.729 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.471 HD12 HG22 ' A' ' 45' ' ' ILE . 96.5 mt -65.56 -42.74 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 O-C-N 123.26 0.35 . . . . 0.0 110.071 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.05 71.84 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.323 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.79 -43.77 82.73 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -65.21 -41.02 94.89 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.77 93.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.7 p -61.83 -41.14 97.43 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -62.05 -41.57 98.27 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.88 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.04 -40.06 94.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.811 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -62.04 -37.73 86.05 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.29 0.368 . . . . 0.0 110.343 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -62.33 -44.49 96.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.162 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.24 -41.1 99.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -86.59 0.24 54.8 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.755 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.7 tttt 53.56 34.03 17.63 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.789 0.328 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 96.2 mtt-85 -100.55 115.39 30.03 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.307 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.0 p -64.46 -39.58 94.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.338 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 m -94.7 132.5 39.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.788 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.0 mt -93.34 134.77 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 72.3 p -125.85 176.62 6.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.919 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.8 p -54.85 -32.03 60.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.962 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -61.26 -43.99 97.97 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.086 0.241 . . . . 0.0 111.421 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 mp0 -66.95 -43.81 82.22 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.61 0.243 . . . . 0.0 110.8 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.506 HD11 ' HB1' ' A' ' 136' ' ' ALA . 89.7 mt -63.86 -42.39 95.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.837 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -56.23 -42.22 76.94 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.339 0.4 . . . . 0.0 110.861 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -62.3 -45.91 91.13 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.296 0.372 . . . . 0.0 110.257 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.84 90.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.546 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 70' ' ' ILE . 65.4 t -62.92 -46.01 97.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.538 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -63.37 -38.85 92.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.168 0.292 . . . . 0.0 111.526 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.98 -34.23 68.77 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -83.3 -37.69 23.11 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.24 147.5 53.66 Favored Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -55.2 166.07 2.56 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.313 2.009 . . . . 0.0 111.71 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.26 90.7 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.504 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -66.98 -45.03 78.94 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.861 0.33 . . . . 0.0 111.256 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.31 -38.34 90.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.724 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -60.56 -42.41 96.57 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.438 0.461 . . . . 0.0 111.626 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.18 -47.91 83.98 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.066 0.229 . . . . 0.0 111.044 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -71.89 -36.66 70.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.628 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.08 -37.95 84.5 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.274 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 83' ' ' ALA . 74.4 t -62.19 -43.16 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -63.36 -39.91 95.82 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.0 -45.69 73.37 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 123.971 0.909 . . . . 0.0 111.662 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.0 -40.53 95.28 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.8 m -61.98 -42.35 99.04 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -59.44 -41.2 89.08 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.354 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.81 99.48 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.171 0.294 . . . . 0.0 110.249 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.3 -44.94 94.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 m -61.04 -42.9 99.35 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.197 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -61.03 -40.27 92.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CZ ' ' CZ ' ' A' ' 109' ' ' ARG . 69.4 t80 -64.01 -42.84 97.0 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.4 p -70.76 -36.24 73.0 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.89 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.4 m -80.83 -30.27 35.81 Favored 'General case' 0 CA--C 1.495 -1.138 0 C-N-CA 127.015 2.126 . . . . 0.0 112.422 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.0 p -52.68 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.36 1.024 0 C-N-CA 123.475 0.71 . . . . 0.0 111.192 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 70.53 -63.31 0.41 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.508 0.323 . . . . 0.0 111.341 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.6 p -56.67 -41.4 77.21 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.076 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.612 ' HB3' ' HG2' ' A' ' 109' ' ' ARG . . . -58.27 147.25 31.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.516 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -104.43 -44.17 4.99 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.382 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -70.47 146.9 49.98 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.771 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -65.56 -42.16 92.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.473 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.1 p -68.06 -39.29 83.03 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.227 0.33 . . . . 0.0 111.022 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.2 p -62.21 -40.37 95.9 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.358 0.411 . . . . 0.0 111.082 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.612 ' HG2' ' HB3' ' A' ' 103' ' ' ALA . 79.8 mtp180 -64.17 -34.74 78.78 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.89 -28.57 27.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.64 20.95 79.86 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' ' 141' ' ' ALA . 76.7 mt -97.36 130.14 44.54 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -57.91 -44.29 86.73 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.608 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -62.87 134.44 95.6 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.481 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 119' ' ' VAL . 31.2 Cg_exo -56.11 106.72 0.22 Allowed 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.053 1.835 . . . . 0.0 111.992 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 138' ' ' VAL . 89.6 t -65.19 -42.29 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.387 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.23 -42.9 93.65 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -64.8 -38.29 90.5 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.714 0.257 . . . . 0.0 111.251 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 115' ' ' PRO . 99.6 t -60.84 -44.64 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -60.71 -46.05 91.86 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.707 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -66.4 -38.63 87.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.36 -42.38 99.36 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.641 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.78 -43.57 98.58 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.179 0.299 . . . . 0.0 111.135 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.52 -39.47 91.86 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.452 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -62.24 -38.55 89.67 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.484 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.69 -8.06 13.58 Favored Glycine 0 CA--C 1.541 1.662 0 N-CA-C 111.959 -0.457 . . . . 0.0 111.959 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 59.46 32.58 21.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 117.107 0.454 . . . . 0.0 111.349 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -69.29 -40.33 77.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.394 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.1 p -148.14 163.99 35.26 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.533 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -67.25 -39.05 86.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.09 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -133.42 151.47 51.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.951 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.79 139.35 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -82.32 176.06 53.68 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -87.87 -46.42 9.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.984 0.421 . . . . 0.0 110.549 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.24 -31.31 80.31 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 70' ' ' ILE . . . -55.61 -62.03 5.21 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.507 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.48 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 19.7 Cg_endo -60.37 -31.82 93.2 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 121.881 1.721 . . . . 0.0 111.809 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 134' ' ' ALA . 95.7 t -62.72 -46.81 95.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -62.27 -44.18 97.13 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.148 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.41 HD21 ' CD1' ' A' ' 46' ' ' PHE . 33.3 tp -63.34 -41.79 98.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.629 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.536 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -59.14 -39.31 82.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.13 88.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.118 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.46 -45.05 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.23 -41.59 98.55 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.4 -40.77 93.84 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.401 0.438 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -61.15 -47.7 85.02 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.663 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.556 HD13 HD13 ' A' ' 45' ' ' ILE . 41.1 mt -61.92 -39.64 92.72 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.796 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.3 m -58.55 -42.24 87.43 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.98 90.04 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.499 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -63.76 -41.82 97.92 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.385 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 89.9 mt -66.07 -42.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.415 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.52 -41.71 97.72 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.09 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 154' ' ' LEU . 9.4 pt-20 -68.22 -37.86 81.3 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.151 0.282 . . . . 0.0 110.736 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.721 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 65.7 mt -64.97 -42.71 94.34 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.55 84.46 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.436 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -59.1 -42.5 97.08 Favored Glycine 0 C--N 1.337 0.598 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -62.36 -43.32 99.09 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.85 92.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.998 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -61.72 -39.03 90.08 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.104 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -62.06 -37.68 85.89 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.497 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.35 -34.79 75.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.279 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -97.41 10.46 39.64 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.717 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 51.85 36.61 18.54 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.931 0.396 . . . . 0.0 111.421 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.565 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 41.2 tttm -112.94 126.53 55.58 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.986 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 41.2 p -74.25 -36.87 63.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.156 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -83.12 147.32 28.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.941 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 73.7 mt -98.99 127.68 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 25.2 pt -119.63 165.93 16.18 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.146 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.46 -33.77 48.52 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.154 1.903 . . . . 0.0 112.203 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.69 -41.45 99.11 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -67.03 -44.35 80.46 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.17 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 34' ' ' ALA . 41.9 mt -62.04 -43.55 98.59 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.81 -43.7 92.27 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.02 -40.89 99.1 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.988 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -63.54 -39.3 94.05 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.5 0.5 . . . . 0.0 111.247 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.451 ' HA ' HD23 ' A' ' 182' ' ' LEU . 96.0 mt -64.0 -43.89 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -72.5 -22.13 61.09 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.851 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -77.97 -16.4 58.18 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.78 118.72 37.27 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -64.4 -45.13 88.95 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.86 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -66.03 -44.96 83.14 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.2 0.312 . . . . 0.0 111.276 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 176' ' ' ILE . 3.2 tp -63.7 -36.0 82.42 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -60.0 -38.96 84.14 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.899 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.06 -44.21 96.45 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.237 0.336 . . . . 0.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.59 -41.92 98.31 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.233 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 63.2 mt -101.26 21.92 13.27 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.169 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -51.48 -41.41 48.84 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -103.46 55.88 0.74 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.359 0.599 . . . . 0.0 110.664 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 60.9 t -136.25 131.2 48.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.849 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 72.7 m -118.84 123.26 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.793 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.2 -15.86 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.702 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.64 80.02 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 122.922 0.139 . . . . 0.0 110.935 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 58.06 168.27 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.085 -1.397 . . . . 0.0 110.894 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -104.37 151.61 23.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.919 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.487 HD12 HD12 ' B' ' 67' ' ' LEU . 41.1 pt -145.03 164.19 12.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.646 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -116.4 138.09 51.63 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.59 127.07 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -113.95 137.38 51.77 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.209 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.5 p -105.61 161.87 14.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.483 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.73 -19.75 65.18 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.269 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.4 p -70.81 -20.31 62.59 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.277 -1.514 . . . . 0.0 111.536 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.51 15.3 21.39 Favored Glycine 0 C--N 1.356 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 112.705 -172.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -93.99 151.17 19.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.99 0.395 . . . . 0.0 110.871 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -135.09 124.83 25.33 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.687 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.603 HD12 ' CD ' ' B' ' 33' ' ' LYS . 49.6 pt -127.97 134.92 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -87.61 132.61 34.01 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.606 -0.684 . . . . 0.0 109.666 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 tp -134.84 137.54 43.39 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 124.003 0.921 . . . . 0.0 111.024 -174.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -106.05 119.53 39.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.456 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.19 164.01 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -109.24 150.18 40.72 Favored Pre-proline 0 CA--C 1.543 0.675 0 O-C-N 123.192 0.308 . . . . 0.0 110.489 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.29 -31.12 54.96 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 122.077 1.852 . . . . 0.0 112.478 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 91.2 p -84.59 -12.42 54.09 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -66.78 142.32 57.41 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.7 0.285 . . . . 0.0 110.638 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 11.4 p -82.09 160.63 23.13 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.99 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.4 mm -64.12 -41.5 92.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.448 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -54.97 -40.54 70.14 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -62.62 -41.09 98.81 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.7 -44.63 99.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HA ' HD12 ' B' ' 30' ' ' ILE . 98.2 mttt -61.36 -39.14 89.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.805 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.04 -38.43 86.13 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.291 0.369 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.97 -38.67 92.04 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' B' ' 27' ' ' LYS . 94.5 mt -62.67 -42.26 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -56.71 -37.27 70.7 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.31 -35.96 82.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.603 ' CD ' HD12 ' B' ' 13' ' ' ILE . 98.6 mttt -81.26 -45.73 15.83 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -178.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.507 ' OE1' HD12 ' B' ' 36' ' ' ILE . 42.9 mt-10 -93.86 -36.89 12.01 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 126.965 2.106 . . . . 0.0 115.812 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 27.95 47.1 Favored Glycine 0 C--N 1.355 1.639 0 C-N-CA 125.995 1.759 . . . . 0.0 111.922 -172.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.507 HD12 ' OE1' ' B' ' 34' ' ' GLU . 61.1 mt -99.72 139.24 20.69 Favored Pre-proline 0 CA--C 1.552 1.048 0 CA-C-O 119.098 -0.477 . . . . 0.0 109.874 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -55.35 120.51 8.32 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 122.109 1.872 . . . . 0.0 112.245 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.21 -37.45 94.3 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.25 1.967 . . . . 0.0 112.643 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -29.66 70.99 Favored 'General case' 0 N--CA 1.435 -1.219 0 O-C-N 120.716 -1.24 . . . . 0.0 108.876 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -87.67 11.54 14.93 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.028 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -116.75 135.09 54.04 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -112.54 125.09 53.87 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -103.5 141.31 36.22 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.606 HD11 HD12 ' C' ' 676' ' ' LEU . 98.9 mt -131.62 138.76 52.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.09 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -124.36 125.28 44.06 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.55 29.63 11.67 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.496 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.15 16.89 75.55 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.504 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -107.98 134.99 50.1 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 117.384 0.592 . . . . 0.0 110.158 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -65.64 133.85 52.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 123.374 0.421 . . . . 0.0 110.178 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' B' ' 59' ' ' TYR . 52.9 mt -111.07 132.17 54.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.684 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -97.26 144.04 27.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.049 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -61.86 -36.03 80.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.595 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.66 -3.38 72.58 Favored Glycine 0 CA--C 1.536 1.402 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.013 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -101.2 160.66 14.21 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 117.425 0.613 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.5 p -104.2 164.55 11.65 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.697 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.87 -38.09 89.82 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.486 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.6 p -57.75 -28.83 64.28 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.922 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.47 -37.08 82.29 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.074 0.233 . . . . 0.0 111.204 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.42 ' CZ ' HD23 ' B' ' 50' ' ' LEU . 95.8 m-85 -93.8 8.03 42.65 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.291 0.37 . . . . 0.0 111.707 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.0 m120 54.11 70.54 0.6 Allowed 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 111.225 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.3 mt -108.31 127.19 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -106.85 -175.39 2.78 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.79 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.0 152.31 7.75 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.136 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 53.13 82.27 0.08 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.128 0.489 . . . . 0.0 110.268 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.8 t -129.95 148.82 51.85 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.371 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.7 m -110.25 122.78 48.48 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.545 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.487 HD12 HD12 ' B' ' 3' ' ' ILE . 74.5 mt -115.16 128.39 56.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.978 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.42 145.73 24.7 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.076 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.406 HD13 HD13 ' B' ' 30' ' ' ILE . 29.9 tp -110.79 130.71 55.5 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.418 0.628 . . . . 0.0 111.911 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.697 ' CG2' ' HB1' ' C' ' 673' ' ' ALA . 15.9 t -130.79 166.13 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.121 178.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.49 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.4 tp -105.3 112.73 25.94 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.521 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -81.12 129.45 34.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.6 mt -100.34 -7.55 24.35 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -92.68 138.11 31.78 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.029 0.206 . . . . 0.0 110.45 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.16 -165.35 50.56 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.889 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -66.74 -45.67 77.86 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.52 0.188 . . . . 0.0 110.624 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 57.1 ttm -59.04 -50.4 74.22 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.403 0.44 . . . . 0.0 110.436 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 2.5 t70 44.63 68.84 2.86 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.537 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.68 -12.38 31.06 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 122.045 1.83 . . . . 0.0 112.835 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.434 HG12 ' CE ' ' C' ' 659' ' ' MET . 49.2 t -62.61 -42.06 94.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.471 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 32.0 mt -60.21 -42.8 95.93 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.251 0.344 . . . . 0.0 110.769 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.8 mtm-85 -63.7 -41.58 98.09 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.64 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.9 -39.04 83.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.471 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 74.8 mtm -64.82 -38.58 91.47 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.8 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -61.67 -44.4 97.03 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.268 0.355 . . . . 0.0 110.708 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.49 -43.88 79.86 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.31 0.381 . . . . 0.0 111.085 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.7 -38.51 89.43 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.395 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.88 -41.0 99.25 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.409 0.443 . . . . 0.0 110.954 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -62.26 -43.41 98.89 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.218 0.324 . . . . 0.0 110.657 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -72.7 -34.88 67.45 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.393 0.433 . . . . 0.0 110.895 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -65.34 -45.81 82.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.438 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.52 -32.29 72.98 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.722 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -60.34 -44.12 95.82 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.14 -37.71 88.42 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.199 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -62.67 -36.92 84.45 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.188 0.305 . . . . 0.0 110.859 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -64.19 -46.52 83.59 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 123.373 0.421 . . . . 0.0 109.916 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.517 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -66.38 -42.47 87.91 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.697 ' HB1' ' CG2' ' B' ' 70' ' ' VAL . . . -62.85 -39.57 94.79 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.627 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.39 -38.98 91.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.031 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.69 -41.95 99.38 Favored 'General case' 0 C--N 1.337 0.053 0 O-C-N 123.396 0.435 . . . . 0.0 110.336 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.606 HD12 HD11 ' B' ' 44' ' ' ILE . 79.6 mt -65.49 -42.26 92.35 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -60.24 -44.05 95.55 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.81 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -70.73 -40.7 72.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.53 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 50.0 mtp -63.56 -48.87 75.7 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.652 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -63.37 -42.01 98.84 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.521 0.513 . . . . 0.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.82 -35.13 79.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.517 178.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -62.8 -39.25 93.68 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.562 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -52.89 -43.77 66.42 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.343 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -64.77 -45.17 87.49 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.366 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 34.94 41.19 0.06 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.307 0.575 . . . . 0.0 112.351 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 22.2 p -85.27 -63.46 1.32 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.19 160.3 22.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 11.0 m -72.86 149.77 43.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.501 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -131.3 143.45 50.54 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -129.38 141.03 51.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.426 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.56 41.86 2.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.252 0.549 . . . . 0.0 110.542 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -126.78 -57.33 0.14 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 78.2 p -69.38 -28.83 66.53 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.434 0.138 . . . . 0.0 110.991 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 694' ' ' VAL . . . . . 0.403 HG13 ' N ' ' C' ' 695' ' ' ASP . 11.9 p -60.86 -42.09 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.285 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 695' ' ' ASP . . . . . 0.403 ' N ' HG13 ' C' ' 694' ' ' VAL . 2.8 p30 -77.74 175.7 9.71 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.631 0.582 . . . . 0.0 110.534 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 63.58 121.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.341 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -70.55 162.05 29.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.398 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.59 -42.8 99.38 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.747 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 40.9 mt 61.84 151.5 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.48 0.488 . . . . 0.0 110.289 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 148.61 28.47 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.402 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 4.4 m -90.45 121.33 32.32 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.418 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 41.5 m -60.48 -42.89 97.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.644 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -143.91 -53.83 0.35 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 99.0 mtp -128.83 141.6 51.24 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.568 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -75.08 141.66 43.78 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.685 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 82.13 108.81 0.41 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.17 90.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.593 0.235 . . . . 0.0 110.59 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.557 179.905 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.62 143.56 44.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.604 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 53.51 24.75 4.26 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.707 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -112.93 -55.08 2.57 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.35 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 55.03 24.47 6.03 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.221 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -63.3 -40.32 97.04 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.008 0.432 . . . . 0.0 111.123 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.52 -43.06 87.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.417 ' CZ ' ' HD3' ' A' ' 115' ' ' PRO . 78.0 m-85 -63.46 -44.47 94.35 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.988 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 14' ' ' SER . 7.5 p -62.12 -36.48 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -55.86 -45.08 78.55 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.95 -40.59 93.88 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.483 0.489 . . . . 0.0 110.226 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.427 HG13 ' CE2' ' C' ' 697' ' ' TYR . 76.5 t -60.83 -42.06 91.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.58 ' HA ' HG12 ' A' ' 24' ' ' VAL . 27.2 tp -60.65 -38.54 85.17 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.899 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.34 -38.29 90.5 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 123.202 0.314 . . . . 0.0 111.582 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -35.82 37.54 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 123.376 0.423 . . . . 0.0 110.828 -178.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.2 p -78.88 -29.04 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.635 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.53 86.81 0.34 Allowed Pre-proline 0 CA--C 1.55 0.945 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -65.18 -28.96 55.97 Favored 'Trans proline' 0 N--CA 1.504 2.128 0 C-N-CA 122.365 2.044 . . . . 0.0 112.893 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.84 -43.36 99.0 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.888 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -82.89 154.47 24.59 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.597 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.37 175.3 15.65 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.36 135.48 54.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 110.186 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -78.68 155.51 29.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.394 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.0 p -60.51 -33.31 72.45 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 122.112 -0.368 . . . . 0.0 110.065 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.45 -39.37 81.49 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 122.743 0.417 . . . . 0.0 110.464 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.57 89.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.6 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.3 mtp -62.93 -42.51 99.82 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.79 -38.31 95.04 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.3 mm -62.3 -44.62 99.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.408 ' O ' HG23 ' A' ' 42' ' ' VAL . 97.8 mmm -70.96 -31.29 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.467 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -59.71 -45.75 91.19 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.034 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.1 m -69.4 -31.84 70.46 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.48 0.488 . . . . 0.0 110.049 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 87.3 t80 -62.2 -42.53 99.38 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.934 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 38' ' ' MET . 62.3 t -67.54 -48.12 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -65.9 -40.05 91.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.059 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.58 -47.9 83.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.527 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.546 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 96.4 mt -68.84 -36.01 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 O-C-N 123.576 0.547 . . . . 0.0 110.052 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 140' ' ' LEU . 87.4 t80 -55.15 -48.09 74.19 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.328 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.28 -39.24 78.48 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.33 0.394 . . . . 0.0 111.686 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -62.63 -48.16 80.59 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.66 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 45' ' ' ILE . 96.9 mt -63.71 -43.15 97.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.31 -40.45 77.91 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.488 0.493 . . . . 0.0 111.084 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.51 -44.81 94.65 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -66.55 -40.86 89.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.22 99.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.367 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.4 m -62.27 -41.64 98.65 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.187 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.77 -41.21 98.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.21 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.72 -39.46 94.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.636 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.83 85.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.364 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -64.16 -43.33 95.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.975 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -64.0 -38.94 92.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.213 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -85.95 -1.41 57.29 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.971 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.52 36.37 27.02 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.867 0.365 . . . . 0.0 111.292 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -101.05 134.17 44.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.503 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 m -86.67 -15.48 39.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.581 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.8 m -117.85 131.19 56.58 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.667 0.27 . . . . 0.0 110.409 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.7 mt -89.35 132.39 34.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.8 p -129.51 179.06 6.02 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.175 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -56.72 -32.34 65.42 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.645 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -61.46 -43.81 98.2 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.159 0.287 . . . . 0.0 111.337 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -65.69 -44.27 86.69 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.204 0.315 . . . . 0.0 110.511 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.608 HD11 ' HB1' ' A' ' 136' ' ' ALA . 91.1 mt -64.78 -41.39 92.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.012 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.97 -45.09 74.93 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.103 0.252 . . . . 0.0 110.976 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.3 m -64.2 -44.67 91.23 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.236 0.335 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.98 89.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.852 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 70' ' ' ILE . 56.9 t -62.1 -45.3 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.266 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -63.81 -37.81 88.77 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.358 0.411 . . . . 0.0 111.386 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.6 -33.47 66.72 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.4 mt -86.32 -37.25 18.69 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.35 146.55 38.09 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -55.31 160.89 7.89 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.379 2.052 . . . . 0.0 111.359 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.51 -47.25 57.59 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.692 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.43 -44.88 77.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.912 0.356 . . . . 0.0 111.72 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.48 -40.06 96.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.497 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -62.03 -37.92 86.76 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.385 0.428 . . . . 0.0 112.017 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -58.74 -45.64 89.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.415 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 34.5 m-70 -70.62 -36.42 73.45 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.285 0.366 . . . . 0.0 111.268 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . . . -61.21 -37.85 84.47 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.296 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 83' ' ' ALA . 93.7 t -63.63 -41.72 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.305 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.1 m -62.05 -47.95 82.44 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 86' ' ' ALA . 14.1 pt-20 -67.93 -35.74 78.95 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 123.06 0.544 . . . . 0.0 111.457 -178.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.68 -46.89 88.58 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.394 -0.683 . . . . 0.0 111.394 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -62.65 -44.48 96.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -62.39 -39.77 94.33 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.794 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.44 ' HB1' HG12 ' A' ' 138' ' ' VAL . . . -59.84 -44.15 94.24 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 81.3 t -66.7 -40.47 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 m -59.57 -40.01 85.95 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.915 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -60.65 -44.39 96.48 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.335 0.397 . . . . 0.0 110.018 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -60.52 -46.29 90.71 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.4 p -68.57 -33.64 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.744 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.6 m -68.51 -57.11 6.28 Favored 'General case' 0 CA--C 1.491 -1.319 0 O-C-N 119.974 -1.704 . . . . 0.0 111.405 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -55.52 123.37 13.74 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 123.58 0.55 . . . . 0.0 111.103 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.26 -40.76 70.77 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.714 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.4 p -150.91 141.6 22.71 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.563 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.47 123.8 3.91 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.365 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -65.65 -41.2 92.82 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.912 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.0 m -95.56 129.75 42.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -64.58 -42.98 95.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.165 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.1 p -62.12 -42.77 99.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.8 m -61.1 -40.1 92.45 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.567 0.542 . . . . 0.0 110.563 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -65.21 -36.19 83.4 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.398 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.494 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -80.25 -27.05 38.73 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.336 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 75.95 31.94 54.4 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 141' ' ' ALA . 42.7 mt -111.98 132.36 54.82 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.425 0.155 . . . . 0.0 110.757 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 -59.33 -43.9 92.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.374 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -63.26 146.27 96.24 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.375 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.537 ' O ' HG23 ' A' ' 119' ' ' VAL . 38.4 Cg_endo -69.47 105.42 1.44 Allowed 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.021 1.814 . . . . 0.0 112.034 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.3 t -64.76 -42.74 95.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.401 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.28 -44.56 96.42 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.45 -38.76 92.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.472 0.136 . . . . 0.0 111.198 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 115' ' ' PRO . 90.0 t -60.36 -43.67 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -61.55 -43.92 97.99 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -66.16 -41.33 90.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.205 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.06 -41.08 99.37 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.395 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.78 -42.63 99.25 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.309 0.38 . . . . 0.0 110.772 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -66.9 -37.31 84.13 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.87 -38.05 89.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.28 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.69 -7.15 19.92 Favored Glycine 0 CA--C 1.54 1.596 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 56.92 31.82 20.42 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 117.015 0.407 . . . . 0.0 111.372 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -65.18 -41.55 94.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.519 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.9 t -148.47 159.85 43.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -63.78 -38.63 91.81 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -131.33 142.47 50.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.409 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.33 138.57 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.286 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -85.24 173.28 48.15 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.492 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -89.3 -35.06 16.34 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.398 -0.401 . . . . 0.0 110.954 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.13 -35.28 91.55 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.781 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -59.53 -60.04 11.89 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-O 118.96 -0.543 . . . . 0.0 110.645 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 45.7 Cg_exo -53.49 -37.33 82.32 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 121.724 1.616 . . . . 0.0 111.694 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.494 HG13 ' HB1' ' A' ' 110' ' ' ALA . 91.6 t -62.41 -47.59 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -62.59 -46.53 87.87 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.308 0.38 . . . . 0.0 110.391 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 46' ' ' PHE . 35.4 tp -62.27 -41.22 98.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.589 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -58.91 -38.7 79.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.88 -40.2 87.72 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.355 0.409 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.432 HG21 HG21 ' A' ' 74' ' ' VAL . 99.2 t -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.87 -41.48 97.9 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.13 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -65.54 -39.55 91.86 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 68.9 t80 -61.77 -48.69 79.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.544 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.481 HD13 HD13 ' A' ' 45' ' ' ILE . 82.2 mt -62.53 -40.67 97.52 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.4 ' CG2' HG23 ' A' ' 17' ' ' VAL . 18.9 m -62.0 -43.34 99.05 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.603 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.11 88.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.764 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -65.62 -42.92 90.98 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.324 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.486 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 83.5 mt -65.14 -42.75 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 123.312 0.383 . . . . 0.0 110.186 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.419 HD22 HD13 ' A' ' 21' ' ' LEU . 84.8 mt -62.16 -40.55 96.39 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.622 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -66.04 -47.81 73.14 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.231 0.332 . . . . 0.0 110.69 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 63.9 mt -65.23 -41.29 94.54 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.547 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.69 84.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.427 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.9 -41.08 99.61 Favored Glycine 0 C--N 1.338 0.678 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -63.28 -42.25 99.07 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.11 89.4 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.78 84.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.797 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -60.72 -42.56 97.53 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.762 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -64.83 -31.74 73.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.544 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -89.68 9.52 26.74 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.69 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 56.45 46.52 20.6 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.192 0.52 . . . . 0.0 111.131 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.51 146.11 50.24 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.52 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 58.0 p -108.79 17.72 21.55 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.307 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -129.73 137.61 50.67 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 69.5 mt -93.94 130.51 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 20.9 pt -133.23 165.54 35.94 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.984 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.19 -34.49 39.68 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.21 1.94 . . . . 0.0 112.203 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.25 -40.2 96.76 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -67.37 -40.44 85.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.95 -41.47 98.02 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.827 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -61.68 -42.58 99.11 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 123.295 0.372 . . . . 0.0 110.137 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.19 -40.75 97.09 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.472 0.483 . . . . 0.0 110.922 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.41 ' HA ' ' ND2' ' A' ' 178' ' ' ASN . . . -60.3 -43.39 96.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.424 0.452 . . . . 0.0 111.586 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.508 HD13 ' CD1' ' A' ' 186' ' ' LEU . 66.4 mt -70.93 -43.2 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.743 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -68.34 -36.18 78.87 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.422 ' C ' ' OD1' ' A' ' 178' ' ' ASN . 31.1 p30 -77.18 -9.1 58.55 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.283 0.364 . . . . 0.0 111.843 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -116.17 113.66 23.38 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -58.69 -42.62 89.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.62 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -60.59 -48.31 82.32 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.321 0.388 . . . . 0.0 111.288 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.95 -36.02 82.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -59.53 -36.72 76.67 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.973 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.14 -45.16 82.0 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.214 0.321 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.96 -43.25 96.37 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.508 ' CD1' HD13 ' A' ' 176' ' ' ILE . 71.9 mt -104.79 22.07 15.81 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -54.09 -41.26 68.8 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -95.93 12.07 31.63 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 83.7 t -124.52 129.5 73.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.1 m -116.46 136.54 52.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.711 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 36.0 mm -85.11 127.73 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.96 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -64.41 142.69 58.33 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.727 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -108.37 129.18 55.25 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.284 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 117.975 -1.458 . . . . 0.0 111.036 -179.931 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.0 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -109.83 134.39 52.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.203 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.7 pt -132.34 149.81 32.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.114 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -106.59 142.78 35.69 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -122.3 127.42 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -111.39 151.69 28.2 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.292 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -121.43 165.63 15.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.588 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.16 -25.17 67.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.1 p -69.16 -20.18 64.01 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 119.844 -1.785 . . . . 0.0 111.235 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.04 8.46 47.74 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 121.402 -0.811 . . . . 0.0 112.731 -171.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -83.93 151.74 24.9 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 117.252 0.526 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.8 m -131.94 127.47 36.43 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.344 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.641 HD12 ' CD ' ' B' ' 33' ' ' LYS . 48.6 pt -124.99 134.51 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.975 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 80.9 p -83.11 140.56 32.57 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -141.29 131.11 24.31 Favored 'General case' 0 C--N 1.345 0.372 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.406 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -109.14 115.47 30.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.178 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.89 159.22 26.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.062 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -101.29 157.59 33.38 Favored Pre-proline 0 CA--C 1.539 0.552 0 O-C-N 123.377 0.423 . . . . 0.0 110.697 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.34 -35.37 64.38 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.247 1.964 . . . . 0.0 112.395 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.3 p -71.62 -18.61 62.2 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.205 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.22 139.53 58.49 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.658 0.266 . . . . 0.0 110.634 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.2 p -84.55 155.02 22.3 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.911 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.5 -42.06 94.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.738 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.44 -39.96 73.98 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.167 0.292 . . . . 0.0 110.261 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -62.74 -39.16 93.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.041 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.75 -42.25 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.46 -39.51 83.88 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.392 0.433 . . . . 0.0 110.733 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.4 94.46 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.3 0.375 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.47 -39.96 95.12 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.041 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.11 -41.72 93.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.38 -38.49 68.93 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -69.17 -33.74 73.88 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.086 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.641 ' CD ' HD12 ' B' ' 13' ' ' ILE . 68.3 mttm -76.14 -45.94 31.15 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -93.79 -38.78 11.09 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.752 1.621 . . . . 0.0 115.202 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.53 29.6 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 125.594 1.569 . . . . 0.0 111.911 -169.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.5 mt -101.91 137.22 19.46 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-O 119.161 -0.447 . . . . 0.0 110.202 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.0 128.89 28.54 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.032 1.821 . . . . 0.0 112.094 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -55.14 -37.08 94.34 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.21 1.94 . . . . 0.0 112.76 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.448 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 64.2 m-20 -65.02 -29.7 70.63 Favored 'General case' 0 N--CA 1.428 -1.558 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -86.48 12.28 10.67 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.885 0.874 . . . . 0.0 111.279 -171.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -129.87 144.77 51.48 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.685 0.279 . . . . 0.0 111.318 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -118.06 145.61 44.69 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.885 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -112.99 128.32 56.47 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.595 HD11 HD12 ' C' ' 676' ' ' LEU . 88.0 mt -125.83 131.49 71.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 79.4 t80 -125.91 125.48 42.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 71.03 12.8 6.98 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.191 0.307 . . . . 0.0 110.666 -178.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.52 9.84 74.71 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 119.762 -0.466 . . . . 0.0 113.028 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -115.05 136.7 52.84 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -53.8 156.18 2.91 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.8 mt -120.97 145.67 47.49 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -91.69 130.9 37.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.949 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -65.5 -35.71 81.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.556 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.93 -12.76 79.05 Favored Glycine 0 CA--C 1.534 1.265 0 O-C-N 123.495 0.497 . . . . 0.0 112.981 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -93.93 157.06 16.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.204 0.502 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.0 p -94.2 166.35 12.15 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.809 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.33 -41.88 98.93 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.1 p -59.2 -27.89 66.14 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.34 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.25 -35.16 76.51 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.239 0.337 . . . . 0.0 110.887 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -91.55 11.32 24.56 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.239 0.337 . . . . 0.0 111.817 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 56.55 36.95 28.38 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.7 mt -73.15 125.46 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -100.87 -178.54 3.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.753 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -56.17 142.4 37.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.245 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 56.01 92.87 0.03 OUTLIER 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.137 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.3 t -130.55 146.74 52.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.512 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.7 m -103.36 122.86 45.71 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.36 0.413 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.0 mt -116.93 126.88 53.63 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.93 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -89.16 145.75 25.23 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 tp -112.04 131.75 55.23 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.086 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.801 HG22 ' HB1' ' C' ' 673' ' ' ALA . 6.7 t -131.11 167.87 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.493 ' H ' HG12 ' B' ' 70' ' ' VAL . 11.4 tp -104.34 119.19 38.41 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.448 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 71.2 ttt-85 -84.68 134.38 34.36 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.531 HD22 ' HE ' ' C' ' 684' ' ' ARG . 47.8 mt -127.36 73.9 1.47 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.141 0.496 . . . . 0.0 111.315 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -148.62 145.07 27.6 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.752 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.47 -167.25 50.23 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.822 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -111.02 128.81 55.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.602 0.239 . . . . 0.0 110.713 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 74.6 mtm -65.31 -40.35 93.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.51 124.69 71.13 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.25 -14.05 31.21 Favored 'Trans proline' 0 N--CA 1.504 2.099 0 C-N-CA 122.247 1.965 . . . . 0.0 112.907 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.435 HG12 ' CE ' ' C' ' 659' ' ' MET . 50.1 t -60.92 -42.24 92.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.475 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 52.3 mt -59.61 -43.98 93.58 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.195 0.31 . . . . 0.0 110.954 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -65.96 -41.67 90.93 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.624 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.09 -40.15 94.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 74.8 mtm -63.88 -38.71 92.08 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.89 -42.04 97.22 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.235 0.335 . . . . 0.0 110.448 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -62.44 -43.78 98.0 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.4 -42.68 92.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.013 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.91 -38.25 90.33 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -60.7 -43.61 97.56 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.413 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -69.45 -36.14 76.34 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.461 0.476 . . . . 0.0 110.29 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -63.57 -45.07 92.12 Favored 'General case' 0 C--N 1.341 0.232 0 O-C-N 123.42 0.45 . . . . 0.0 109.837 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -64.29 -35.56 81.26 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.64 0.587 . . . . 0.0 110.585 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.08 -45.73 91.92 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -69.65 -38.25 77.05 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -64.97 -38.88 92.43 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.362 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.41 -46.57 82.68 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.308 0.38 . . . . 0.0 110.142 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.47 ' C ' HD13 ' C' ' 672' ' ' LEU . 2.8 tm? -65.2 -41.58 94.39 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.801 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -61.31 -39.14 89.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.449 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.83 -37.91 86.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.087 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.03 -42.39 98.37 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.301 0.376 . . . . 0.0 110.242 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.595 HD12 HD11 ' B' ' 44' ' ' ILE . 88.7 mt -64.02 -43.77 94.6 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.637 -0.425 . . . . 0.0 109.932 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -60.16 -42.41 94.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.488 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -69.45 -44.51 71.1 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.741 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.25 -44.07 84.76 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.412 0.445 . . . . 0.0 111.634 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -63.99 -42.82 97.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.822 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.56 -35.47 80.3 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.415 0.447 . . . . 0.0 110.863 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -65.23 -40.32 93.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.4 -43.41 90.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.531 ' HE ' HD22 ' B' ' 73' ' ' LEU . 58.5 ttm-85 -69.8 -43.3 72.37 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -136.1 148.24 48.18 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.475 0.484 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 20.8 p -98.84 42.49 1.1 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 45.7 t -70.29 136.77 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.715 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 5.9 m -59.03 156.81 11.12 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -59.32 -25.75 64.43 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.941 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -58.82 133.19 55.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.444 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -144.27 156.4 44.26 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.676 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 163.98 101.4 0.16 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.711 -0.955 . . . . 0.0 110.711 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 28.2 t -159.44 151.27 20.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.536 0.208 . . . . 0.0 110.641 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 49.1 t -126.87 133.32 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.695 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -91.02 -97.08 0.11 Allowed 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 56.44 164.89 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 C-N-CA 122.485 0.314 . . . . 0.0 110.786 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.427 ' CE2' HG13 ' A' ' 20' ' ' VAL . 31.2 m-85 -85.22 144.46 28.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.216 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.18 130.62 43.69 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.542 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 77.7 mt -132.83 153.54 51.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -80.84 68.32 7.05 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.242 0.544 . . . . 0.0 110.404 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 93.6 p -151.92 161.26 42.94 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 9.9 t -86.49 104.33 15.85 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.709 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -126.34 24.89 6.7 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.054 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 65.4 mtt -103.91 141.25 36.48 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.684 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.44 97.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 80.08 51.64 4.95 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -60.28 145.32 47.93 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.546 0.212 . . . . 0.0 110.512 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.512 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -64.08 127.67 32.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.09 -13.72 23.43 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.449 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.23 89.54 0.08 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -100.13 23.03 10.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.276 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.1 p -60.57 -42.07 95.89 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.993 0.425 . . . . 0.0 110.66 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.46 -43.38 91.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.017 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -65.75 -43.67 88.25 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.201 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.89 -35.73 74.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -54.45 -46.27 73.27 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -62.93 -40.0 96.28 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.578 0.549 . . . . 0.0 110.007 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.508 HG22 ' NE2' ' A' ' 113' ' ' GLN . 34.1 t -60.04 -42.53 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.4 tp -60.41 -38.21 83.29 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.656 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.22 -39.41 92.73 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.48 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -69.37 -36.8 77.18 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.257 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.447 HG22 ' OE2' ' A' ' 153' ' ' GLU . 2.4 p -80.91 -40.56 18.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.857 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -171.71 92.75 0.42 Allowed Pre-proline 0 CA--C 1.552 1.052 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.547 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.9 -35.48 98.49 Favored 'Trans proline' 0 N--CA 1.506 2.243 0 C-N-CA 122.667 2.245 . . . . 0.0 113.088 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.67 -46.79 86.44 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.55 ' HA ' HG22 ' A' ' 165' ' ' THR . 76.4 p -70.11 132.62 46.1 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.144 0.278 . . . . 0.0 110.815 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.44 173.07 20.92 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 tt -138.97 142.55 33.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.673 0.273 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 p -82.58 157.87 23.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.272 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.9 m -61.87 -33.48 74.27 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 123.67 0.788 . . . . 0.0 109.922 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -67.09 -40.61 86.98 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.323 0.649 . . . . 0.0 110.232 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.94 -34.5 78.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.758 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.4 mmm -61.95 -44.55 96.54 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.232 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.32 -40.98 99.37 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.176 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.42 -44.05 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.85 -37.87 85.29 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.294 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -62.49 -42.28 99.39 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.131 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.7 m -66.09 -35.73 81.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.502 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.82 -45.01 96.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.783 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.5 t -59.77 -45.47 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.71 -39.58 94.48 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 123.374 0.421 . . . . 0.0 111.171 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -62.29 -46.8 87.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.762 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.539 HG22 HD12 ' A' ' 49' ' ' ILE . 50.4 mm -64.58 -42.28 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.386 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -56.9 -45.78 82.37 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -64.94 -43.07 93.95 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -64.82 -48.88 72.8 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.247 0.342 . . . . 0.0 111.787 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.539 HD12 HG22 ' A' ' 45' ' ' ILE . 94.6 mt -65.48 -43.38 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.288 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.41 88.69 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.9 -42.19 86.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -66.49 -42.97 86.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.463 0.173 . . . . 0.0 110.561 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.99 93.28 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.368 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -62.43 -43.08 99.66 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.446 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.85 -45.63 92.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.584 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.94 -41.41 97.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.728 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -63.46 -37.39 87.1 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.327 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -65.03 -41.56 95.14 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.183 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -62.63 -37.63 87.09 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.187 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -87.37 -0.4 56.71 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.076 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 59.46 30.31 19.97 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.833 0.349 . . . . 0.0 111.383 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.535 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 79.9 mtp85 -111.74 108.61 18.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.497 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.3 p -61.05 -45.72 93.62 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.251 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.5 m -71.32 134.31 46.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 129' ' ' SER . 81.0 mt -101.7 133.81 44.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.6 p -126.69 178.21 6.06 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.841 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.9 p -56.99 -32.03 65.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.845 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -61.8 -44.61 96.53 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -66.8 -45.02 79.72 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.907 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.702 HD11 ' HB1' ' A' ' 136' ' ' ALA . 90.1 mt -64.25 -42.34 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.032 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -55.45 -44.22 76.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 123.26 0.35 . . . . 0.0 110.624 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 m -63.55 -44.27 94.65 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.333 0.396 . . . . 0.0 110.116 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.54 87.71 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.537 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 70' ' ' ILE . 53.2 t -62.14 -48.39 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 O-C-N 123.39 0.432 . . . . 0.0 110.311 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' HG2' ' HB1' ' A' ' 83' ' ' ALA . 91.2 mtm180 -68.0 -37.75 81.81 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.184 0.302 . . . . 0.0 111.433 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 76' ' ' LEU . 5.1 tt -66.95 -34.77 78.5 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.3 mt -90.22 -37.81 13.88 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.6 mp -88.9 149.62 43.88 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.06 162.98 8.38 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.417 2.078 . . . . 0.0 111.574 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.21 -44.3 84.1 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.44 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.6 mp0 -65.15 -46.3 81.46 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.703 0.252 . . . . 0.0 111.446 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.92 -37.95 89.36 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.273 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.89 -41.35 86.95 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 123.462 0.476 . . . . 0.0 111.474 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.6 -44.44 97.01 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.247 0.342 . . . . 0.0 110.96 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -68.62 -39.56 80.75 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.437 0.461 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.91 -35.61 71.28 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 83' ' ' ALA . 94.6 t -62.07 -41.16 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 O-C-N 123.266 0.354 . . . . 0.0 110.166 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -62.46 -45.96 90.69 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.67 -46.21 72.99 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 123.97 0.908 . . . . 0.0 112.047 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.82 -47.73 38.21 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 121.482 -0.39 . . . . 0.0 112.379 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.0 m -62.64 -47.97 81.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.463 0.173 . . . . 0.0 110.892 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.24 -35.54 81.15 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.19 -39.46 79.0 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.24 -37.59 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.3 m -58.43 -39.3 79.42 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.843 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -57.89 -41.02 81.67 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -63.51 -43.38 97.37 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.907 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.4 m -66.77 -41.76 87.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.71 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.1 m -72.46 -35.16 68.18 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 125.533 1.533 . . . . 0.0 111.26 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 78.2 p -62.5 -38.28 89.3 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 123.346 0.658 . . . . 0.0 110.794 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 100' ' ' SER . . . 70.16 -68.46 0.2 Allowed 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.358 0.411 . . . . 0.0 110.417 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.0 p -138.58 103.26 4.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.626 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.719 ' HB3' ' HG2' ' A' ' 109' ' ' ARG . . . -104.1 -176.58 3.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.316 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -100.2 -65.97 0.93 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.49 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.8 p -91.59 160.88 15.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.486 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 -63.75 -43.87 95.18 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.464 0.478 . . . . 0.0 111.185 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -66.59 -32.91 74.55 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.418 0.449 . . . . 0.0 110.619 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -66.03 -32.84 74.54 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.3 0.375 . . . . 0.0 111.012 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.719 ' HG2' ' HB3' ' A' ' 103' ' ' ALA . 96.4 mtt180 -62.91 -35.62 80.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.772 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.574 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -102.41 -14.36 16.91 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.828 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.12 64.44 4.16 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.4 mt -129.69 142.14 50.77 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.546 0.212 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.508 ' NE2' HG22 ' A' ' 20' ' ' VAL . 35.1 mt-30 -65.68 -44.49 86.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.574 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -66.53 145.29 98.94 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.714 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.506 ' O ' HG23 ' A' ' 119' ' ' VAL . 36.5 Cg_endo -66.61 102.97 0.64 Allowed 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.16 1.907 . . . . 0.0 112.095 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.82 -42.87 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.385 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.05 -43.91 94.9 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -64.63 -36.23 83.59 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.47 0.135 . . . . 0.0 111.208 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 115' ' ' PRO . 95.0 t -59.97 -44.93 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -60.5 -45.24 94.49 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.352 0.407 . . . . 0.0 110.66 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 -63.88 -40.65 97.03 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.35 -40.8 95.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.429 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.15 -44.65 96.98 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.273 0.358 . . . . 0.0 110.939 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -71.27 -40.94 70.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.798 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -63.79 -39.52 94.45 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.46 -7.36 10.25 Favored Glycine 0 CA--C 1.541 1.692 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.024 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.5 t30 62.08 20.71 11.84 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 117.058 0.429 . . . . 0.0 111.441 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -65.31 -41.72 93.75 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.396 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.5 ' HB3' HD11 ' A' ' 65' ' ' ILE . 83.6 p -145.09 157.57 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.72 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -68.91 -38.57 79.67 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.752 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -129.74 148.56 51.64 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.944 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.2 t -130.95 138.2 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.75 177.29 52.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -92.92 -40.63 10.49 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.863 0.364 . . . . 0.0 110.748 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.82 -27.86 73.12 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.615 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -64.92 -59.84 9.37 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-O 118.931 -0.557 . . . . 0.0 110.266 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 43.4 Cg_exo -54.36 -33.52 76.94 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.834 1.689 . . . . 0.0 111.013 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.574 HG13 ' HB1' ' A' ' 110' ' ' ALA . 73.1 t -63.75 -47.85 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -63.35 -47.06 83.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.478 HD13 HG21 ' A' ' 49' ' ' ILE . 29.5 tp -62.7 -41.86 99.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.768 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.0 91.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.69 92.97 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.367 0.417 . . . . 0.0 110.998 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.36 -44.69 97.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.268 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 75.3 mt -62.04 -40.47 95.84 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -62.43 -39.74 94.31 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.372 0.42 . . . . 0.0 110.424 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -61.02 -46.69 89.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.43 -41.7 98.9 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.4 m -61.97 -45.07 95.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.731 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.486 ' HB2' ' CZ ' ' C' ' 697' ' ' TYR . . . -66.24 -38.65 88.4 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.749 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -66.72 -42.28 86.57 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.241 0.338 . . . . 0.0 111.324 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.89 -42.98 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.66 -41.71 99.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' C' ' 699' ' ' LEU . 48.9 tp10 -67.51 -41.29 84.68 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.177 0.298 . . . . 0.0 110.688 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.737 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 61.7 mt -62.03 -40.59 96.22 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.189 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.425 ' HB1' HG23 ' A' ' 167' ' ' ILE . . . -64.98 -36.46 84.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.432 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.3 99.6 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.69 -44.71 96.42 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.52 84.5 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.802 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -58.96 -44.39 91.46 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.983 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -62.04 -39.52 92.6 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.026 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -63.6 -30.74 71.81 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.459 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -96.05 9.38 41.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.716 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 56.27 50.8 12.67 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.095 0.474 . . . . 0.0 111.135 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.802 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 99.2 mttt -143.65 108.65 4.96 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.72 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 165' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 28' ' ' THR . 10.3 m -61.68 -41.91 98.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.686 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -68.84 147.82 51.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.981 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.425 HG23 ' HB1' ' A' ' 155' ' ' ALA . 65.9 mt -101.61 130.01 51.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.496 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 25.2 pt -124.33 165.73 23.08 Favored Pre-proline 0 CA--C 1.545 0.75 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.083 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.67 -33.82 41.25 Favored 'Trans proline' 0 N--CA 1.501 1.93 0 C-N-CA 122.275 1.983 . . . . 0.0 112.169 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.45 -43.74 98.34 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -66.64 -43.09 85.59 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.05 -42.48 99.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.28 -41.67 85.07 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 39.0 mt -63.29 -40.43 97.36 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.15 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.737 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -62.68 -44.2 96.85 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 123.399 0.437 . . . . 0.0 111.076 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.64 -43.76 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.068 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -65.28 -34.26 77.93 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -77.42 -16.76 58.64 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.247 0.342 . . . . 0.0 111.654 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -103.03 115.69 31.09 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.5 -42.31 98.52 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.739 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -60.99 -49.1 78.83 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.573 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.44 -38.01 88.62 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.752 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -59.08 -41.37 87.88 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.321 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -64.24 -44.61 91.29 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.465 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 28.3 tp -64.03 -41.52 97.4 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.711 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 69.7 mt -99.88 20.06 14.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.131 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.31 -38.76 69.68 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -97.6 17.82 16.9 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 75.6 t -123.06 129.1 75.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.9 t -110.99 129.81 55.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.343 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 43.0 mm -64.22 -44.39 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.149 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.1 123.27 10.16 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -111.91 130.21 55.91 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.216 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.996 -1.447 . . . . 0.0 111.021 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -107.66 137.0 46.47 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.975 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -134.39 160.16 41.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.178 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -117.3 134.24 55.04 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.847 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.404 ' HB ' HG23 ' B' ' 13' ' ' ILE . 45.3 t -115.46 127.21 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -109.8 151.71 26.64 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.151 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.3 p -119.43 162.61 18.54 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.369 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.35 -26.8 68.92 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.4 p -69.65 -19.55 63.61 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 120.059 -1.651 . . . . 0.0 111.338 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.09 12.39 36.72 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 121.426 -0.796 . . . . 0.0 112.816 -171.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -85.73 131.78 34.26 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.145 0.472 . . . . 0.0 110.003 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.0 m -112.72 124.01 51.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.714 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.645 HD11 ' CD ' ' B' ' 33' ' ' LYS . 11.4 tt -122.76 133.58 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.485 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -82.32 134.42 35.27 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 123.624 0.769 . . . . 0.0 109.086 177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.3 tp -141.03 141.64 34.29 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 121.467 -0.77 . . . . 0.0 110.807 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -110.54 115.15 29.1 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.404 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -139.38 162.48 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.957 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.02 154.46 37.34 Favored Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 123.208 0.317 . . . . 0.0 110.795 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -54.15 -39.23 86.92 Favored 'Trans proline' 0 N--CA 1.503 2.037 0 C-N-CA 122.364 2.043 . . . . 0.0 112.275 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.2 p -76.84 -9.1 58.45 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.091 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.25 141.21 58.11 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.654 0.264 . . . . 0.0 110.49 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 p -80.87 156.91 25.85 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.5 mm -63.28 -41.78 94.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.514 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -55.5 -39.89 71.02 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -63.19 -39.78 95.62 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.298 0.374 . . . . 0.0 110.079 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.33 -46.47 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.812 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.48 -36.58 84.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.07 93.87 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.26 0.35 . . . . 0.0 110.43 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -63.41 -40.11 96.32 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.886 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.95 -41.29 92.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -55.79 -39.8 71.78 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.79 -40.71 92.21 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.461 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.645 ' CD ' HD11 ' B' ' 13' ' ' ILE . 68.8 mttm -78.33 -45.04 23.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -177.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -87.93 -39.58 14.64 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.003 1.721 . . . . 0.0 114.124 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.08 27.45 31.08 Favored Glycine 0 C--N 1.351 1.405 0 C-N-CA 124.868 1.223 . . . . 0.0 111.799 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -101.82 133.38 20.78 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-O 119.229 -0.415 . . . . 0.0 109.983 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -48.12 130.1 19.74 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.014 1.81 . . . . 0.0 112.185 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -61.95 -35.65 76.1 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.262 1.974 . . . . 0.0 112.661 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.77 -34.17 75.12 Favored 'General case' 0 N--CA 1.432 -1.359 0 O-C-N 121.292 -0.88 . . . . 0.0 108.671 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -81.53 5.84 16.68 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.394 -173.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -105.6 134.66 48.36 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 120.854 0.359 . . . . 0.0 111.279 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.631 HH22 HD11 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -113.3 126.59 55.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.585 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.36 135.91 49.64 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.631 HD11 HH22 ' B' ' 42' ' ' ARG . 97.1 mt -124.17 139.57 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -125.26 122.56 37.29 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.57 26.7 14.71 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.44 75.11 Favored Glycine 0 CA--C 1.536 1.405 0 N-CA-C 112.185 -0.366 . . . . 0.0 112.185 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -112.21 135.55 52.74 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.972 0.386 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -61.04 146.64 46.5 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.304 0.377 . . . . 0.0 110.457 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -115.67 134.03 55.44 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.061 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -92.49 139.95 30.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.946 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.05 -42.78 99.55 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.879 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.04 -18.63 64.9 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.184 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -90.43 156.54 18.14 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.135 0.467 . . . . 0.0 111.231 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.2 p -98.82 167.65 10.63 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.773 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.4 -39.15 93.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.511 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.5 t -58.1 -31.69 67.37 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.68 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.95 -34.71 76.62 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.102 0.251 . . . . 0.0 111.079 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.03 12.39 22.07 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.178 0.299 . . . . 0.0 111.748 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 55.13 56.27 6.7 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.174 0.511 . . . . 0.0 111.17 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.5 mt -100.24 124.13 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -100.57 -173.81 2.49 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.729 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.78 142.06 58.35 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.867 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 57.7 87.21 0.07 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.241 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.9 p -131.23 154.77 48.09 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.453 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.8 m -107.85 120.4 42.16 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 73.8 mt -116.51 127.43 54.54 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.146 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -85.47 140.3 30.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.038 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.8 tp -111.12 133.11 53.74 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.916 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.749 ' CG2' ' HB1' ' C' ' 673' ' ' ALA . 15.9 t -134.83 164.37 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.586 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.475 ' N ' HG12 ' B' ' 70' ' ' VAL . 16.6 tp -98.3 116.36 30.37 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.721 -178.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -78.72 134.27 37.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.434 HD22 ' NE ' ' C' ' 684' ' ' ARG . 39.1 mt -124.99 16.72 8.53 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.394 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -61.6 -39.08 89.95 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.541 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.54 155.19 26.06 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.57 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -65.73 -38.72 89.91 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.659 0.266 . . . . 0.0 110.763 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 95.6 mmm -110.23 165.29 11.88 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.562 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.71 52.39 0.6 Allowed Pre-proline 0 CA--C 1.554 1.113 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.56 -5.54 16.17 Favored 'Trans proline' 0 N--CA 1.503 2.084 0 C-N-CA 122.274 1.983 . . . . 0.0 112.711 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.402 HG12 ' CE ' ' C' ' 659' ' ' MET . 48.8 t -61.07 -41.42 89.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.516 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 29.8 mt -60.21 -42.94 96.22 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.042 0.214 . . . . 0.0 111.086 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -66.56 -39.71 88.64 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.175 0.297 . . . . 0.0 110.689 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.64 -38.27 77.1 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.181 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 72.5 mtm -63.88 -40.86 97.51 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.996 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.56 -46.1 87.44 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.237 0.335 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.09 -43.69 74.03 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.81 -38.69 89.62 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.318 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 25.6 mt -61.98 -42.8 99.54 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.296 0.372 . . . . 0.0 111.221 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.1 -41.7 97.18 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.276 0.36 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.94 -39.86 72.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 666' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' C' ' 670' ' ' ARG . 75.4 tt0 -65.08 -47.25 77.96 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.435 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.85 -32.95 74.76 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.759 0.662 . . . . 0.0 111.065 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -60.44 -42.31 95.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.37 -39.1 91.86 Favored 'General case' 0 C--N 1.339 0.114 0 O-C-N 123.444 0.465 . . . . 0.0 110.581 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 670' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' C' ' 666' ' ' GLU . 32.0 mtm180 -64.43 -40.0 94.9 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.347 0.404 . . . . 0.0 110.799 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.84 -45.95 83.97 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.305 0.378 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.515 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -64.28 -42.34 96.46 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.749 ' HB1' ' CG2' ' B' ' 70' ' ' VAL . . . -62.46 -39.68 94.18 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.632 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.29 -38.37 90.91 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.304 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -62.3 -43.35 99.04 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.487 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.435 HD12 ' NH2' ' B' ' 42' ' ' ARG . 60.9 mt -66.72 -39.92 88.2 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.99 -39.67 86.54 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.924 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.94 -45.53 74.02 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.427 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 65.5 mtm -65.44 -43.93 88.9 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.259 0.35 . . . . 0.0 111.419 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -63.54 -40.99 98.45 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.471 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.01 -34.66 78.6 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.497 0.498 . . . . 0.0 110.631 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -62.09 -38.25 88.15 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -56.57 -41.1 76.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.225 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.434 ' NE ' HD22 ' B' ' 73' ' ' LEU . 90.5 mtt-85 -76.45 -26.56 55.57 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.386 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -46.44 106.72 0.09 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.05 0.452 . . . . 0.0 110.597 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 68.5 p -82.85 168.1 17.44 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.13 -41.97 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 14.7 m -50.23 165.81 0.08 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.839 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -51.97 -65.38 0.57 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.673 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 46.41 40.07 7.43 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.94 133.28 55.94 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.366 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -102.9 151.23 18.01 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 21.3 p -154.03 164.65 38.11 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.512 0.196 . . . . 0.0 110.596 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.85 127.76 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -150.21 119.61 6.89 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.003 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.65 90.29 0.02 OUTLIER 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.4 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 149' ' ' ALA . 0.1 OUTLIER 54.45 -166.73 0.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.233 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 26.6 tp -115.5 126.86 54.81 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.641 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 699' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' A' ' 153' ' ' GLU . 4.3 mm? -107.45 132.8 52.81 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.514 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 73.9 ttp85 -62.85 -41.83 99.51 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.334 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 28.6 t -58.5 137.61 57.26 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 19.6 m -82.57 177.96 8.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -84.83 114.63 22.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.598 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 69.8 mtm -62.53 -41.09 98.63 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -67.13 143.82 56.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.685 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -93.39 -10.82 59.01 Favored Glycine 0 CA--C 1.537 1.408 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.678 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.51 89.93 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.673 0.236 . . . . 0.0 110.63 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 85.6 tttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.341 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.36 -41.51 96.68 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' OE1' HD13 ' A' ' 122' ' ' LEU . 99.4 mt-10 -107.77 130.9 54.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.216 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -103.98 83.96 2.18 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.439 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -106.63 25.88 10.66 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.385 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 17' ' ' VAL . 72.0 p -58.74 -43.12 90.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.973 0.416 . . . . 0.0 110.428 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.9 mt -69.04 -40.82 81.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.41 ' CZ ' ' HG3' ' A' ' 115' ' ' PRO . 89.2 m-85 -65.43 -42.25 92.65 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.142 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 14' ' ' SER . 12.1 p -64.21 -37.54 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.36 -41.17 79.6 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.09 -45.45 92.89 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.214 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.31 -43.28 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HA ' HG12 ' A' ' 24' ' ' VAL . 38.7 tp -59.66 -36.52 76.57 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.601 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -65.0 -37.23 86.97 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.557 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -37.82 37.25 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.756 -178.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 21' ' ' LEU . 3.3 p -81.03 -29.76 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.762 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -177.85 90.11 0.23 Allowed Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.166 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -68.55 -28.28 31.95 Favored 'Trans proline' 0 N--CA 1.503 2.073 0 C-N-CA 122.528 2.152 . . . . 0.0 113.157 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.78 -44.73 96.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.833 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 p -78.1 137.86 38.43 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.218 0.324 . . . . 0.0 110.816 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.83 174.01 23.09 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 17.1 tt -135.42 142.14 40.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.674 0.273 . . . . 0.0 110.269 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 p -81.69 159.95 23.8 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.258 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -61.94 -36.88 82.7 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.635 1.174 . . . . 0.0 109.657 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.54 -37.63 85.42 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.823 0.849 . . . . 0.0 110.566 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HB3' ' CG1' ' A' ' 30' ' ' ILE . . . -64.03 -36.7 84.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.861 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.434 ' SD ' HD13 ' A' ' 30' ' ' ILE . 22.4 mmm -62.1 -44.77 95.94 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.235 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.18 99.54 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.232 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.81 -44.33 99.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 98.5 mmm -65.93 -37.67 86.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.106 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -63.15 -41.23 99.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.951 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.4 m -65.89 -35.75 81.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.276 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -60.84 -44.29 97.18 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.0 t -61.33 -44.24 98.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -62.79 -43.47 98.72 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.42 0.45 . . . . 0.0 111.198 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -62.4 -46.65 87.66 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.41 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.513 HG22 HD12 ' A' ' 49' ' ' ILE . 40.1 mm -64.61 -42.07 94.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.042 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.17 -45.97 83.18 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.8 -43.59 88.22 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -64.0 -49.28 73.08 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.513 HD12 HG22 ' A' ' 45' ' ' ILE . 92.4 mt -64.96 -43.32 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.194 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.2 88.18 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.463 0.477 . . . . 0.0 111.341 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.14 -40.22 96.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -68.96 -41.4 78.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.9 94.27 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.433 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -61.07 -42.34 98.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.21 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.61 -41.45 98.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.963 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.31 -40.15 95.36 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.659 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.543 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -60.62 -38.84 86.05 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.362 0.414 . . . . 0.0 110.36 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -62.86 -44.14 96.92 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.213 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -64.79 -35.64 81.73 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -85.31 2.67 43.12 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 53.91 30.13 11.07 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.814 0.34 . . . . 0.0 111.376 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.543 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 84.7 mtt85 -125.12 111.2 15.04 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.552 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.9 p -62.54 -49.06 76.81 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.177 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 m -58.75 116.61 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.443 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 93.2 mt -82.81 136.26 23.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.406 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 78.5 p -129.67 173.01 11.02 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 123.705 0.628 . . . . 0.0 111.032 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.6 p -57.9 -32.82 68.1 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.759 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.6 mtm-85 -59.83 -43.92 94.31 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.124 0.265 . . . . 0.0 111.269 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 65' ' ' ILE . 94.5 mt-10 -64.62 -42.04 95.78 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.413 0.446 . . . . 0.0 110.407 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 74' ' ' VAL . 83.3 mt -64.14 -42.7 96.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.084 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -55.17 -43.47 74.33 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.08 0.238 . . . . 0.0 111.064 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 m -63.03 -46.37 87.86 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.279 0.362 . . . . 0.0 110.425 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.42 87.31 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.656 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 70' ' ' ILE . 55.3 t -62.78 -44.88 99.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.38 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -65.05 -37.37 87.34 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.291 0.37 . . . . 0.0 111.581 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.1 mt -73.85 -32.82 63.84 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.7 mt -87.23 -37.5 17.2 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 78' ' ' LEU . 7.2 mp -92.99 145.18 29.63 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -53.47 -177.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.414 2.076 . . . . 0.0 111.742 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.67 -49.47 59.62 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 116.495 -0.32 . . . . 0.0 113.006 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -68.89 -38.06 79.42 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.834 0.317 . . . . 0.0 111.608 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.495 HD11 ' NH1' ' C' ' 700' ' ' ARG . 4.6 mm? -62.2 -41.45 98.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.514 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -62.72 -39.0 92.71 Favored 'General case' 0 N--CA 1.462 0.158 0 O-C-N 123.454 0.472 . . . . 0.0 111.697 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.65 -47.29 86.06 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.227 0.329 . . . . 0.0 111.192 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 146' ' ' TYR . 30.3 m-70 -67.5 -37.41 82.77 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.397 0.436 . . . . 0.0 111.475 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.72 83.68 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.199 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 83' ' ' ALA . 83.6 t -63.76 -39.78 86.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 O-C-N 123.423 0.452 . . . . 0.0 110.355 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -59.96 -51.26 70.43 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.0 -40.98 78.42 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.531 0.332 . . . . 0.0 111.806 -177.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.05 -45.57 71.56 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 121.498 -0.382 . . . . 0.0 112.152 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.1 m -62.55 -47.29 84.5 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.529 0.204 . . . . 0.0 110.669 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.71 -37.84 88.95 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.16 86.05 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.5 t -67.77 -37.85 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.9 m -57.73 -42.85 84.68 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.774 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -60.56 -43.41 97.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -60.88 -44.23 97.38 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.3 p -69.45 -33.86 73.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.472 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.3 t -71.9 -56.58 5.44 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.114 1.766 . . . . 0.0 111.547 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 65.5 m -63.48 -43.63 96.72 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 117.843 0.292 . . . . 0.0 110.781 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 100' ' ' SER . . . 70.44 -67.44 0.24 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.8 m -123.34 127.16 48.12 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.592 ' HB3' ' HG3' ' A' ' 109' ' ' ARG . . . -148.32 157.98 43.82 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.335 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -63.14 -41.7 99.33 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.173 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.9 m -108.38 139.2 43.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -66.3 -41.92 89.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 m -64.8 -32.5 74.23 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.593 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.0 t -60.03 -40.96 91.13 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.47 0.481 . . . . 0.0 110.681 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.592 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 93.0 mtm-85 -63.23 -33.69 76.03 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.382 0.426 . . . . 0.0 110.737 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.666 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -84.43 -29.18 26.34 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.636 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.16 30.47 62.9 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 141' ' ' ALA . 84.0 mt -109.5 140.63 43.03 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.648 0.261 . . . . 0.0 110.476 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.32 93.11 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.522 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -63.3 144.27 97.54 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 16.6 Cg_exo -66.44 108.57 1.42 Allowed 'Trans proline' 0 N--CA 1.505 2.183 0 C-N-CA 122.35 2.033 . . . . 0.0 111.903 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.507 HG11 HG22 ' A' ' 138' ' ' VAL . 84.4 t -65.25 -42.99 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.266 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.68 -39.91 91.9 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -64.71 -41.88 95.68 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.381 0.134 . . . . 0.0 110.964 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.41 -45.41 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -60.33 -44.36 95.57 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.35 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -66.28 -38.03 86.83 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.633 0.583 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.428 HD13 ' OE1' ' A' ' 11' ' ' GLU . 34.6 mt -62.6 -41.02 98.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.451 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.08 -45.89 92.9 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.341 0.4 . . . . 0.0 110.889 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -66.18 -40.61 90.6 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.736 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.65 -38.72 91.97 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.82 -2.89 19.11 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 111.948 -0.461 . . . . 0.0 111.948 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 58.13 31.29 20.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.957 0.379 . . . . 0.0 111.51 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -64.06 -40.57 96.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.299 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.3 t -155.74 170.43 22.07 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.687 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.17 -39.15 75.46 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -130.15 151.07 51.08 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.954 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.81 139.54 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -84.11 175.22 51.4 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -89.27 -51.41 5.59 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.467 -0.366 . . . . 0.0 110.79 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.71 -31.22 77.24 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.51 ' HB3' ' CD ' ' A' ' 137' ' ' PRO . . . -55.78 -62.01 5.33 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 119.05 -0.5 . . . . 0.0 110.523 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.51 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 18.4 Cg_endo -60.79 -31.0 91.33 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.753 1.635 . . . . 0.0 111.498 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.666 HG13 ' HB1' ' A' ' 110' ' ' ALA . 71.6 t -62.9 -46.11 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.427 ' O ' HG23 ' A' ' 143' ' ' VAL . 29.8 t80 -61.38 -44.97 96.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.074 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 31.7 tp -62.47 -41.78 99.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.552 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.469 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -58.58 -40.74 84.03 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.971 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.4 88.71 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.181 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 139' ' ' TYR . 71.0 t -63.93 -44.02 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.279 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.89 -41.49 99.44 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -60.58 -41.7 95.19 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 85' ' ' HIS . 84.2 t80 -61.14 -47.44 86.22 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.266 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.68 -41.39 99.08 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.1 m -62.09 -45.13 94.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.78 94.94 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.743 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.23 -41.08 86.27 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.257 0.348 . . . . 0.0 111.604 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.22 -43.03 97.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.95 -40.94 99.2 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.625 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.7 -43.89 92.01 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.123 0.264 . . . . 0.0 110.529 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.529 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 67.0 mt -63.79 -38.11 89.88 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.104 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.17 -37.44 87.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.373 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.22 -41.86 99.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -62.5 -42.66 99.65 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.61 88.2 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.51 84.62 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.841 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.46 -42.34 95.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.807 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.98 -32.37 73.89 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.493 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -89.94 12.4 17.59 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.813 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 56.8 41.35 28.21 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.078 0.466 . . . . 0.0 111.167 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -128.03 143.03 51.06 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.675 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 13.6 p -96.79 -22.21 17.08 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.013 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -85.14 147.8 26.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.298 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 67.6 mt -105.41 129.12 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.4 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 26.4 pt -125.8 165.92 24.21 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.233 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 76.6 Cg_exo -50.65 -34.72 44.57 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 122.236 1.957 . . . . 0.0 112.052 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -61.54 -41.27 97.1 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -66.5 -43.18 86.02 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.311 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.13 -44.66 96.14 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.72 -43.04 90.3 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.382 0.426 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.08 -42.82 99.71 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.221 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -59.3 -43.59 92.61 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.383 0.427 . . . . 0.0 111.201 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 186' ' ' LEU . 96.7 mt -64.98 -43.31 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -65.43 -34.06 77.42 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.27 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -76.28 -15.5 59.99 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.177 0.298 . . . . 0.0 111.535 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -106.62 117.34 33.8 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.34 -39.8 95.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.725 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.87 -46.78 83.4 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.275 0.359 . . . . 0.0 111.551 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.92 -38.4 90.95 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.335 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -60.13 -38.37 82.86 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 123.548 0.53 . . . . 0.0 109.894 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.58 -45.34 90.85 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.334 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.6 tp -66.85 -41.88 86.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.503 HD13 HD13 ' A' ' 176' ' ' ILE . 74.0 mt -100.1 21.7 12.45 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.283 -178.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.97 -30.2 60.04 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -112.69 28.61 8.64 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 57.3 t -128.49 128.57 68.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.4 m -107.86 124.15 49.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.445 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 43.2 mm -64.19 -45.43 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.074 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -117.58 95.24 4.86 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.627 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.01 -39.18 90.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.311 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.791 0 CA-C-O 117.917 -1.49 . . . . 0.0 111.094 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptt? . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -95.43 131.29 41.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.779 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.415 HD12 HD12 ' B' ' 67' ' ' LEU . 37.8 pt -130.45 155.51 41.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.066 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -106.04 141.94 36.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.913 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -121.39 127.66 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -113.89 152.15 31.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.331 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 63.9 p -126.07 162.91 24.23 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.392 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.81 -19.1 64.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.11 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.7 p -69.43 -21.76 63.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 O-C-N 120.208 -1.558 . . . . 0.0 111.269 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.4 15.02 26.45 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 121.293 -0.879 . . . . 0.0 112.703 -172.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -103.32 149.93 24.26 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.1 0.45 . . . . 0.0 110.151 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.7 m -132.47 129.44 39.22 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.078 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 pt -124.01 138.31 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.452 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.9 t -81.08 139.03 35.92 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 tp -138.01 137.96 38.38 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.787 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -110.2 116.44 31.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.053 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -135.22 161.97 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.079 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -105.95 153.06 40.38 Favored Pre-proline 0 CA--C 1.542 0.637 0 O-C-N 123.193 0.308 . . . . 0.0 110.707 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -56.65 -31.45 87.38 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 122.314 2.009 . . . . 0.0 112.424 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.3 m -81.5 -16.6 51.37 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.9 142.01 58.04 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.006 0.191 . . . . 0.0 110.576 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.444 HG22 HG22 ' B' ' 55' ' ' THR . 33.7 p -79.02 159.98 27.36 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.876 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.89 -42.2 95.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.331 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -56.62 -39.21 73.22 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.245 0.341 . . . . 0.0 110.099 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -62.58 -39.23 93.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.264 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.66 -45.24 97.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.829 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.07 -36.18 78.94 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.79 95.68 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.254 0.346 . . . . 0.0 110.344 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -39.64 94.33 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.922 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.29 -41.5 92.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -55.71 -38.35 69.61 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.93 -38.04 89.65 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.083 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -83.66 -36.12 24.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.546 ' HG2' ' CD1' ' B' ' 36' ' ' ILE . 2.1 tp10 -91.81 -37.72 12.78 Favored 'General case' 0 N--CA 1.435 -1.199 0 O-C-N 121.038 -1.039 . . . . 0.0 113.492 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.94 27.9 27.49 Favored Glycine 0 C--N 1.359 1.852 0 C-N-CA 124.16 0.886 . . . . 0.0 111.726 -173.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.546 ' CD1' ' HG2' ' B' ' 34' ' ' GLU . 52.9 mt -112.25 139.01 22.04 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.249 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.02 129.96 34.27 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.021 1.814 . . . . 0.0 111.82 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.41 -25.42 76.13 Favored 'Trans proline' 0 N--CA 1.503 2.053 0 C-N-CA 122.285 1.99 . . . . 0.0 112.828 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -67.02 -35.97 81.09 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.174 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -88.84 9.18 25.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.869 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -105.74 140.01 39.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 111.694 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.453 HH21 HD13 ' C' ' 676' ' ' LEU . 20.3 mtp85 -119.39 129.09 54.62 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.605 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.3 130.57 55.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.573 HD11 HD12 ' C' ' 676' ' ' LEU . 85.5 mt -121.23 132.21 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 O-C-N 123.653 0.596 . . . . 0.0 110.972 -178.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 90.7 t80 -128.52 132.09 48.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 67.21 12.29 8.86 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.888 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.77 11.59 70.52 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-O 120.123 -0.265 . . . . 0.0 112.799 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -120.37 138.08 53.94 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -57.43 152.18 15.0 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.553 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.2 mt -114.54 134.19 55.22 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.172 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -82.05 132.12 35.25 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.681 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -64.51 -35.36 80.7 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.147 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.83 -22.73 73.95 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.392 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 72.0 mtm-85 -89.3 156.14 18.92 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.299 0.55 . . . . 0.0 111.203 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.444 HG22 HG22 ' B' ' 22' ' ' THR . 78.0 p -94.59 167.52 11.43 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.15 -41.42 98.27 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.365 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 96.9 p -57.77 -32.63 67.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.398 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -66.41 -24.64 66.49 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.202 0.314 . . . . 0.0 111.221 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -93.15 8.05 41.72 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.149 0.281 . . . . 0.0 111.745 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 57.03 33.4 23.28 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.04 0.448 . . . . 0.0 111.138 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -77.19 134.67 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -110.61 -174.98 2.6 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.815 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.06 144.16 55.61 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.584 0.553 . . . . 0.0 109.619 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 58.21 82.23 0.14 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.23 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.7 m -127.7 151.78 48.54 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.247 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.5 m -106.13 127.34 53.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.57 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.415 HD12 HD12 ' B' ' 3' ' ' ILE . 76.7 mt -118.95 124.69 47.67 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.816 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -89.24 146.55 24.67 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.239 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.2 tp -110.85 132.76 53.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.782 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.599 HG22 ' HB1' ' C' ' 673' ' ' ALA . 22.0 t -134.36 163.09 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.843 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.477 ' N ' HG12 ' B' ' 70' ' ' VAL . 15.5 tp -105.51 126.92 52.69 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.574 0.226 . . . . 0.0 111.588 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -90.56 135.09 33.92 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 70.2 mt -116.74 -2.62 11.84 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.506 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.33 -45.18 80.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.743 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.02 -148.82 6.53 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.46 132.61 52.28 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 99.4 mtp -111.58 132.87 54.24 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.35 -60.2 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.288 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.99 -20.52 57.46 Favored 'Trans proline' 0 N--CA 1.506 2.234 0 C-N-CA 122.31 2.007 . . . . 0.0 112.957 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.27 -42.18 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.485 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 51.8 mt -60.66 -43.84 97.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.077 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -65.59 -38.06 88.41 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.12 0.263 . . . . 0.0 110.695 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.25 -40.19 78.0 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 75.0 mtm -65.01 -39.49 93.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.84 -43.73 98.26 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.288 0.368 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.71 -43.78 95.55 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.178 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.14 -39.73 93.43 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.265 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.71 -38.06 89.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -64.07 -42.4 97.01 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.287 0.367 . . . . 0.0 111.114 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.87 -42.27 67.06 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.185 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 666' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' C' ' 670' ' ' ARG . 43.9 tt0 -65.28 -48.44 73.17 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.443 0.464 . . . . 0.0 110.449 -179.361 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -63.86 -32.37 73.86 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.65 0.593 . . . . 0.0 111.119 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -58.78 -44.32 90.66 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -35.48 76.43 Favored 'General case' 0 C--O 1.226 -0.156 0 O-C-N 123.574 0.546 . . . . 0.0 110.564 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 670' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' C' ' 666' ' ' GLU . 38.9 mtm180 -65.42 -41.28 93.72 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.332 0.395 . . . . 0.0 110.9 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.36 -46.77 78.84 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 123.28 0.363 . . . . 0.0 110.559 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.469 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -67.11 -39.73 86.74 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.599 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -62.76 -40.07 96.15 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.667 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.76 -38.23 90.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.128 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -61.7 -41.36 97.49 Favored 'General case' 0 CA--C 1.527 0.06 0 O-C-N 123.423 0.452 . . . . 0.0 110.342 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.573 HD12 HD11 ' B' ' 44' ' ' ILE . 48.1 mt -63.1 -43.56 98.15 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.279 0.362 . . . . 0.0 110.063 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.28 -42.95 96.53 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.102 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -69.52 -44.91 70.06 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.319 0.387 . . . . 0.0 111.528 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 68.2 mtm -62.96 -44.04 97.13 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.308 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -62.31 -41.47 98.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.39 -35.95 80.34 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.423 0.452 . . . . 0.0 110.775 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -64.45 -41.34 96.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.47 -23.42 62.72 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.594 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -44.21 90.78 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 60.93 73.8 0.47 Allowed 'General case' 0 C--O 1.238 0.47 0 O-C-N 123.887 0.742 . . . . 0.0 110.723 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 686' ' ' THR . . . . . 0.477 HG22 ' N ' ' C' ' 687' ' ' VAL . 10.8 m -141.6 164.39 30.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.437 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 687' ' ' VAL . . . . . 0.477 ' N ' HG22 ' C' ' 686' ' ' THR . 49.8 t -80.9 130.79 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.08 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 96.6 p -116.26 156.35 26.76 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -68.83 141.41 55.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.515 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -60.37 -43.43 96.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.466 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -91.8 154.87 18.63 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.325 0.391 . . . . 0.0 110.444 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -57.14 150.78 28.37 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 90.6 p -72.32 162.91 28.82 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.24 128.71 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.904 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -123.58 42.76 3.14 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -134.94 154.43 51.7 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.03 142.83 52.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.106 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.14 -59.56 5.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.38 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.3 125.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.387 0.429 . . . . 0.0 110.381 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 700' ' ' ARG . . . . . 0.495 ' NH1' HD11 ' A' ' 82' ' ' LEU . 88.9 mtm-85 -60.77 -42.56 97.73 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.284 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 43.8 t -160.16 84.72 0.73 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.391 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 35.3 t -62.56 -44.0 97.41 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.762 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -128.28 135.01 49.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.712 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 78.1 mtm -110.98 136.06 50.55 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.291 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -156.39 156.03 33.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.682 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -122.7 135.21 10.0 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -90.42 149.34 22.29 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.579 0.228 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.306 179.866 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.58 152.53 33.92 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.414 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 98.1 mt-10 -70.2 103.91 2.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.894 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -70.77 77.03 0.62 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.446 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 11' ' ' GLU . 16.2 m-30 -103.78 14.31 31.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.447 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 17' ' ' VAL . 77.6 p -59.7 -42.38 92.88 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 120.981 0.419 . . . . 0.0 110.301 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.8 mt -68.13 -41.66 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.38 -43.25 98.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.087 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 14' ' ' SER . 8.4 p -63.76 -37.1 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -56.36 -44.89 80.57 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.98 -42.82 99.08 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.214 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' CE2' ' C' ' 697' ' ' TYR . 24.7 t -59.67 -40.79 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 123.506 0.504 . . . . 0.0 109.867 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' HA ' HG12 ' A' ' 24' ' ' VAL . 36.0 tp -59.1 -36.99 76.09 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.476 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -65.79 -39.76 91.26 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -75.13 -36.01 61.65 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.44 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 21' ' ' LEU . 4.2 p -79.33 -35.24 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.899 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -169.78 92.13 0.53 Allowed Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 123.282 0.364 . . . . 0.0 110.606 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.55 -35.09 98.91 Favored 'Trans proline' 0 N--CA 1.505 2.198 0 C-N-CA 122.538 2.158 . . . . 0.0 113.006 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -63.6 -40.75 97.73 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.918 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.2 p -78.2 140.81 38.94 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.221 0.326 . . . . 0.0 110.88 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.0 173.72 14.92 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' HB3' ' A' ' 34' ' ' ALA . 18.1 tt -134.05 139.58 48.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.675 0.274 . . . . 0.0 110.479 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -88.12 157.67 18.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.131 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.9 p -59.48 -30.21 68.38 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 123.358 0.663 . . . . 0.0 110.256 -177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.93 -42.48 80.97 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 122.518 0.327 . . . . 0.0 110.646 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HB3' HG13 ' A' ' 30' ' ' ILE . . . -63.79 -36.07 82.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.7 mtp -62.2 -42.45 99.3 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.052 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.9 -38.65 96.41 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.03 -43.89 99.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.483 ' CE ' HG23 ' A' ' 148' ' ' THR . 96.7 mmm -64.82 -39.17 93.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.478 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -60.64 -41.94 95.96 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.048 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.5 m -64.4 -38.93 92.77 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.481 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.07 -44.65 97.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.999 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.35 -44.19 98.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -63.87 -42.92 97.41 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.338 0.399 . . . . 0.0 111.104 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.18 -45.37 88.69 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.402 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.533 HG22 HD12 ' A' ' 49' ' ' ILE . 35.7 mm -64.16 -42.66 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.024 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.431 ' HD2' HD21 ' A' ' 140' ' ' LEU . 86.1 t80 -58.93 -46.31 88.27 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.357 0.41 . . . . 0.0 110.995 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -64.23 -42.42 96.56 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -67.67 -48.23 67.23 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.217 0.323 . . . . 0.0 111.801 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.533 HD12 HG22 ' A' ' 45' ' ' ILE . 97.4 mt -64.21 -43.63 97.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.4 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.22 76.13 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.438 0.461 . . . . 0.0 111.399 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.97 94.33 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -64.23 -42.53 96.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.09 96.55 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.371 0.42 . . . . 0.0 110.573 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.4 m -60.78 -42.93 98.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.29 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.05 -42.26 98.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.364 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD13 ' HB ' ' A' ' 72' ' ' THR . 65.4 mt -62.99 -38.73 92.33 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.771 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.584 ' HB2' ' OE1' ' A' ' 69' ' ' GLU . . . -60.79 -38.96 87.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.466 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -63.98 -44.44 92.69 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.247 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -66.15 -38.15 87.41 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.25 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -86.63 -1.76 57.94 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.105 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 55.64 32.75 19.88 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.805 0.336 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.435 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 83.8 mtp180 -102.4 114.54 28.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.6 p -64.21 -42.12 96.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.312 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 m -93.42 125.75 38.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.022 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.19 135.86 24.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.6 p -129.27 176.01 8.28 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.101 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.6 m -56.63 -34.86 67.67 Favored 'General case' 0 C--N 1.335 -0.064 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.735 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.6 -43.27 93.78 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.218 0.324 . . . . 0.0 110.63 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.584 ' OE1' ' HB2' ' A' ' 57' ' ' ALA . 42.4 mt-10 -65.28 -40.58 94.05 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.288 0.367 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.661 HD11 ' HB1' ' A' ' 136' ' ' ALA . 87.0 mt -65.33 -42.36 93.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.045 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 139' ' ' TYR . 66.4 mt-30 -55.47 -45.91 76.9 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.167 0.292 . . . . 0.0 111.226 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.422 ' HB ' HD13 ' A' ' 56' ' ' LEU . 9.8 m -62.86 -43.6 98.36 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.252 0.345 . . . . 0.0 110.506 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.39 93.47 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.836 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 70' ' ' ILE . 69.1 t -62.51 -45.21 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.399 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.41 -38.88 92.86 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.244 0.34 . . . . 0.0 111.53 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.17 -33.74 59.33 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.5 mt -82.97 -36.87 24.75 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 78' ' ' LEU . 7.9 mp -97.53 153.53 38.3 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.02 165.03 11.08 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.361 2.04 . . . . 0.0 111.385 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.76 -46.6 75.0 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-N 116.329 -0.396 . . . . 0.0 112.86 -178.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -62.59 -46.29 89.0 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.785 0.292 . . . . 0.0 111.54 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.4 mm? -64.71 -39.24 93.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.411 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -60.28 -42.09 94.72 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.337 0.398 . . . . 0.0 111.589 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -60.88 -46.97 88.52 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.272 0.357 . . . . 0.0 111.064 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -70.65 -35.39 72.85 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.413 0.446 . . . . 0.0 111.437 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.2 83.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 83' ' ' ALA . 86.8 t -63.89 -41.88 93.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 123.33 0.394 . . . . 0.0 110.146 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.4 t -60.2 -44.79 94.83 Favored 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -66.84 -46.19 75.85 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.078 0.551 . . . . 0.0 111.75 -176.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.53 -39.89 86.61 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 95' ' ' THR . 93.8 m -60.05 -45.32 93.22 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -62.03 -39.12 91.22 Favored 'General case' 0 N--CA 1.462 0.147 0 O-C-N 123.453 0.471 . . . . 0.0 111.288 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.485 ' HB1' HG12 ' A' ' 138' ' ' VAL . . . -62.47 -44.52 96.19 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 123.202 0.314 . . . . 0.0 110.537 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.51 -46.12 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.897 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 91' ' ' THR . 43.9 p -60.41 -45.17 94.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -59.63 -37.82 79.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.29 -46.83 88.49 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 m -65.89 -40.29 91.44 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.421 0.451 . . . . 0.0 111.399 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.2 t -67.39 -32.56 73.55 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 125.152 1.381 . . . . 0.0 110.144 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 m -66.98 140.1 57.71 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 122.902 0.481 . . . . 0.0 110.6 -178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.17 118.15 31.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.55 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.0 p 46.78 -89.37 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.377 0 O-C-N 123.49 0.493 . . . . 0.0 111.254 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.621 ' HB3' ' HG2' ' A' ' 109' ' ' ARG . . . 63.45 116.7 0.02 OUTLIER 'General case' 0 C--N 1.351 0.633 0 C-N-CA 122.971 0.508 . . . . 0.0 110.155 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -66.79 -44.68 80.66 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.368 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 m -76.25 126.75 31.56 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -67.26 -41.5 85.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -62.17 -33.82 75.24 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.716 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.9 m -64.3 -39.19 93.41 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.375 0.422 . . . . 0.0 111.199 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.621 ' HG2' ' HB3' ' A' ' 103' ' ' ALA . 56.1 mtt180 -62.41 -35.18 78.42 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.63 -20.97 20.32 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.356 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.25 74.39 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.559 HD12 HG11 ' A' ' 116' ' ' VAL . 67.7 mt -95.85 132.81 40.74 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -61.42 -42.09 98.19 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.282 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -68.34 143.39 95.57 Favored Pre-proline 0 CA--C 1.544 0.742 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.674 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.22 91.98 0.46 Allowed 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.18 1.92 . . . . 0.0 111.879 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.85 HG12 ' CB ' ' A' ' 141' ' ' ALA . 19.2 m -63.2 -36.76 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.831 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.28 -40.93 86.1 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -63.63 -36.38 83.62 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.404 0.102 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.423 HG13 ' CE2' ' A' ' 46' ' ' PHE . 60.6 t -60.97 -43.65 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -58.46 -44.9 89.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.458 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -66.96 -40.64 87.53 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.35 -41.6 97.31 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.665 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.4 mt -61.17 -42.42 98.54 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.2 0.313 . . . . 0.0 110.967 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -63.36 -43.15 98.49 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.496 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.39 -38.46 91.12 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.384 0.427 . . . . 0.0 110.623 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.77 -7.07 26.94 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.931 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 58.6 31.46 21.1 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.859 0.33 . . . . 0.0 111.493 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -64.11 -41.23 97.33 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.509 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.2 p -153.45 163.35 40.1 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.691 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -64.99 -38.9 92.47 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -133.21 148.87 52.04 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.769 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 51.2 t -129.31 135.89 60.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.3 -179.91 52.95 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -95.33 -37.86 10.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.68 -33.13 85.22 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.815 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -63.35 -59.19 12.69 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-O 119.066 -0.493 . . . . 0.0 110.598 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 38.7 Cg_exo -54.63 -39.47 88.62 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.753 1.635 . . . . 0.0 111.335 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.485 HG12 ' HB1' ' A' ' 93' ' ' ALA . 93.9 t -63.85 -45.71 96.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.423 ' CZ ' ' HG2' ' A' ' 71' ' ' GLN . 42.7 t80 -60.04 -48.43 81.76 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.431 HD21 ' HD2' ' A' ' 46' ' ' PHE . 35.7 tp -63.35 -39.57 94.91 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.85 ' CB ' HG12 ' A' ' 116' ' ' VAL . . . -59.6 -40.56 87.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.7 87.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.84 -44.25 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.206 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.88 -40.63 96.05 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.91 -39.5 94.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.331 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.89 -46.65 89.79 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.415 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.81 -41.3 97.58 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.073 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.483 HG23 ' CE ' ' A' ' 38' ' ' MET . 11.2 m -59.81 -45.07 93.51 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.47 ' HB2' ' CZ ' ' C' ' 697' ' ' TYR . . . -65.48 -41.08 93.67 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.676 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -66.01 -42.12 90.11 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.33 0.394 . . . . 0.0 111.349 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.47 -42.81 96.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.13 -40.95 97.63 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.538 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -63.03 -46.21 88.65 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.269 0.356 . . . . 0.0 110.257 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.435 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 76.0 mt -64.96 -40.54 95.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.343 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.477 ' HB1' HG23 ' A' ' 167' ' ' ILE . . . -61.74 -37.94 86.11 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.592 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.87 -39.33 97.26 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -62.0 -43.94 97.78 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.93 89.3 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.152 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.24 94.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.344 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -64.96 -37.61 88.23 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.9 -22.76 67.05 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.72 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -100.38 15.51 27.54 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.695 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 59.62 38.09 22.21 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.112 0.482 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -130.85 147.15 52.46 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.585 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 65.4 p -111.44 20.75 16.93 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.065 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -127.23 135.61 50.87 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.477 HG23 ' HB1' ' A' ' 155' ' ' ALA . 74.9 mt -90.8 126.26 43.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 21.2 pt -131.49 164.67 40.96 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.936 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -49.3 -35.33 34.51 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 122.208 1.939 . . . . 0.0 112.146 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -63.37 -40.96 98.7 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.404 0.44 . . . . 0.0 109.892 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -66.41 -40.07 89.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.62 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.6 -42.01 98.26 Favored 'General case' 0 C--O 1.23 0.041 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.621 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -61.54 -42.52 98.95 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.22 0.325 . . . . 0.0 110.366 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.02 -41.82 97.33 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.456 0.472 . . . . 0.0 111.349 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.435 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -61.13 -46.69 89.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.595 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 46.4 mm -67.72 -43.67 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.34 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -62.77 -35.7 80.68 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.451 0.47 . . . . 0.0 110.951 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -82.4 -16.34 49.41 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.201 0.313 . . . . 0.0 111.734 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -98.49 117.69 33.49 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.07 -41.56 86.17 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.843 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.15 -49.26 70.54 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.575 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.43 -38.55 87.68 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.163 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -59.86 -38.22 81.51 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.76 -45.38 92.94 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.968 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 35.9 tp -66.7 -41.6 87.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.72 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.62 20.55 10.61 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.147 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.37 -33.69 71.92 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -96.3 3.56 52.93 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 90.2 t -124.71 125.63 70.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.262 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.9 m -116.13 122.32 44.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.507 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 42.9 mm -63.52 -44.99 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.976 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.41 -20.1 65.97 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.08 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 58.56 96.23 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.43 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.999 -1.445 . . . . 0.0 110.866 -179.849 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -124.13 143.48 50.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.663 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.5 HD12 HD12 ' B' ' 67' ' ' LEU . 41.4 pt -134.09 161.52 40.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.92 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -116.82 141.96 47.54 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.53 128.22 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -112.16 152.78 27.93 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.234 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.1 p -123.23 163.5 20.55 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.516 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.85 -21.51 66.02 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.4 p -70.0 -23.06 63.08 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 120.515 -1.365 . . . . 0.0 111.214 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.96 14.64 22.39 Favored Glycine 0 C--N 1.356 1.656 0 O-C-N 121.281 -0.887 . . . . 0.0 112.691 -173.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -94.47 150.86 19.85 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 117.13 0.465 . . . . 0.0 110.243 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -136.55 130.47 32.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.24 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.598 HD12 ' CD ' ' B' ' 33' ' ' LYS . 48.4 pt -126.73 135.35 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -82.73 140.44 33.06 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.417 HD11 ' HD3' ' B' ' 29' ' ' LYS . 19.8 tp -141.63 132.22 25.48 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.739 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -104.77 118.56 36.86 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.518 0.511 . . . . 0.0 110.053 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.5 m -140.83 162.56 22.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.234 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.19 152.45 38.63 Favored Pre-proline 0 CA--C 1.545 0.754 0 O-C-N 123.258 0.349 . . . . 0.0 110.505 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.83 -33.25 80.71 Favored 'Trans proline' 0 N--CA 1.501 1.944 0 C-N-CA 122.291 1.994 . . . . 0.0 112.529 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.1 p -76.34 -15.92 59.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.92 142.05 58.02 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.608 0.242 . . . . 0.0 110.544 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.0 p -80.36 156.8 26.54 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.978 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -63.73 -42.06 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.507 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -55.97 -39.63 72.07 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.23 0.331 . . . . 0.0 110.119 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -62.63 -40.3 96.56 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.108 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.12 -43.51 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.6 -38.14 80.45 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.28 86.39 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.422 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' HD3' HD11 ' B' ' 15' ' ' LEU . 63.6 mttp -62.64 -40.35 96.72 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.469 HG22 HE22 ' B' ' 41' ' ' GLN . 81.4 mt -63.46 -41.44 92.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -54.98 -37.59 66.73 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.39 -35.62 79.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.602 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.598 ' CD ' HD12 ' B' ' 13' ' ' ILE . 63.4 mttp -77.98 -44.45 26.66 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -92.49 -39.8 11.19 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 128.257 2.623 . . . . 0.0 115.884 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 30.65 38.0 Favored Glycine 0 C--N 1.353 1.472 0 C-N-CA 126.4 1.952 . . . . 0.0 111.966 -169.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.8 mt -104.2 138.28 19.48 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.63 131.26 43.21 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.045 1.83 . . . . 0.0 111.987 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.58 -28.81 82.78 Favored 'Trans proline' 0 N--CA 1.504 2.093 0 C-N-CA 122.287 1.992 . . . . 0.0 112.72 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.12 -38.58 91.12 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -85.07 8.44 17.97 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 122.315 -0.241 . . . . 0.0 111.303 -172.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.469 HE22 HG22 ' B' ' 30' ' ' ILE . 86.4 mt-30 -114.66 134.95 54.67 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 120.589 0.233 . . . . 0.0 111.526 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.434 HH21 HD13 ' C' ' 676' ' ' LEU . 14.8 mtp85 -115.6 136.91 52.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.819 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.24 134.37 52.88 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.62 HD11 HD12 ' C' ' 676' ' ' LEU . 96.0 mt -126.2 133.45 68.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -125.95 129.01 48.41 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.63 28.89 18.41 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.18 14.9 81.46 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -115.31 135.18 54.41 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.06 149.31 41.42 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.318 0.386 . . . . 0.0 110.341 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.6 mt -112.41 153.83 26.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.163 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -106.41 131.07 54.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.94 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -63.11 -34.85 78.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.845 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.04 -20.92 75.21 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 113.164 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -90.61 158.98 16.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.16 0.48 . . . . 0.0 111.092 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.5 p -94.34 166.71 11.95 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.708 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.87 -41.57 98.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.407 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.2 p -61.24 -28.52 69.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.415 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.09 -35.05 74.35 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.092 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -92.54 12.8 21.78 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.796 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 56.78 36.6 27.92 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.928 0.395 . . . . 0.0 110.995 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.7 mt -75.02 127.65 36.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -103.52 -176.46 3.09 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.73 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.06 147.35 53.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.106 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 56.82 78.15 0.23 Allowed 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.196 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -124.58 154.72 40.23 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.435 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.5 m -111.23 124.47 52.28 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.345 0.403 . . . . 0.0 110.708 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.5 HD12 HD12 ' B' ' 3' ' ' ILE . 93.6 mt -116.7 126.22 52.86 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.039 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -87.67 148.41 24.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.965 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 25.6 tp -110.99 128.84 55.98 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.177 0.513 . . . . 0.0 111.928 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.768 HG22 ' HB1' ' C' ' 673' ' ' ALA . 33.1 t -128.56 161.39 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 115.155 -0.929 . . . . 0.0 108.576 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.47 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.5 tp -105.88 121.42 44.03 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.663 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -86.35 134.67 33.71 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.525 HD13 ' HD2' ' C' ' 684' ' ' ARG . 73.5 mt -111.46 65.15 0.62 Allowed 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.055 0.455 . . . . 0.0 111.115 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -140.41 149.15 42.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.706 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.73 134.69 11.79 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.876 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.87 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -60.34 -40.71 91.67 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.57 0.224 . . . . 0.0 110.707 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 77.0 mtm -84.91 151.46 24.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.92 -62.18 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.843 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.092 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.51 -16.79 34.42 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 122.229 1.953 . . . . 0.0 112.861 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.485 HG12 ' CE ' ' C' ' 659' ' ' MET . 50.5 t -61.79 -43.71 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.509 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 26.6 mt -60.84 -42.44 97.77 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.33 0.394 . . . . 0.0 110.774 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -66.39 -39.39 89.02 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.234 0.334 . . . . 0.0 110.791 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.0 -39.29 79.42 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.509 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 74.6 mtm -64.09 -39.62 94.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.816 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.96 -43.91 97.5 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.348 0.405 . . . . 0.0 110.63 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.54 -43.4 94.09 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.38 0.425 . . . . 0.0 111.026 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.5 -41.14 96.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.278 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.66 -41.8 99.26 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.316 0.385 . . . . 0.0 111.2 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.93 -42.27 94.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.973 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -70.68 -38.32 73.71 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.073 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -64.59 -46.01 84.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.45 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.36 -33.9 71.98 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.481 0.488 . . . . 0.0 111.266 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -60.25 -46.42 89.85 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.41 -40.53 95.95 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -63.5 -37.77 88.59 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.408 0.443 . . . . 0.0 110.954 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -63.04 -46.55 87.02 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.488 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -65.86 -41.21 91.94 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.768 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -60.54 -38.32 84.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.048 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.69 -37.97 86.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.558 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -62.01 -43.66 98.38 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.62 HD12 HD11 ' B' ' 44' ' ' ILE . 91.0 mt -64.6 -43.05 95.02 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -60.77 -40.73 93.63 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.145 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -67.71 -44.93 76.51 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.654 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 65.7 mtm -64.89 -43.97 91.13 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.381 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.481 ' C ' HD12 ' B' ' 73' ' ' LEU . 30.4 m-85 -64.56 -39.73 94.28 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.516 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -64.98 -34.46 78.49 Favored 'General case' 0 CA--C 1.528 0.114 0 O-C-N 123.415 0.447 . . . . 0.0 110.259 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.62 -39.38 94.23 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.277 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -51.59 -33.18 31.58 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.536 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.525 ' HD2' HD13 ' B' ' 73' ' ' LEU . 70.3 mtp180 -63.18 -37.96 89.27 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.708 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 60.76 41.89 14.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.114 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 31.9 m -123.56 130.08 52.15 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.106 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.04 136.55 25.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.835 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 24.9 p -134.66 157.28 47.04 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -136.59 98.41 3.8 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.323 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 57.76 107.84 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.626 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.38 -41.08 96.52 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -74.45 172.65 52.14 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 88.3 p -138.4 147.49 43.43 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 694' ' ' VAL . . . . . 0.4 HG13 ' N ' ' C' ' 695' ' ' ASP . 11.2 p -64.16 -41.7 93.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.985 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 695' ' ' ASP . . . . . 0.4 ' N ' HG13 ' C' ' 694' ' ' VAL . 82.9 m-20 -97.77 109.89 22.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.05 -41.56 95.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.352 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 149' ' ' ALA . 0.1 OUTLIER -132.87 152.21 51.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.109 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 18.2 tp -90.74 120.8 32.08 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.653 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 6.2 mp -121.21 163.07 19.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.414 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -62.72 -38.6 91.13 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.543 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 33.3 t -63.11 145.86 54.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 70.9 m -130.23 152.2 49.91 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.748 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -93.3 4.27 54.26 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.24 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 97.2 mtp 50.26 92.92 0.02 OUTLIER 'General case' 0 C--N 1.345 0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.774 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.59 91.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -135.41 140.2 11.45 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.68 97.5 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.568 0.223 . . . . 0.0 110.694 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 82.1 tttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.442 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 tttt -76.14 114.86 15.27 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -71.45 -19.0 62.28 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t 70.14 83.04 0.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.028 0.442 . . . . 0.0 110.891 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -109.17 6.8 25.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.436 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 17' ' ' VAL . 42.2 m -60.89 -42.7 98.5 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.043 0.449 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.31 -42.48 90.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.723 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -63.23 -43.97 96.58 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.133 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.53 HG23 ' CG2' ' A' ' 148' ' ' THR . 8.9 p -64.02 -36.36 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.9 -43.32 77.16 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.54 -42.03 98.22 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.989 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG22 ' OH ' ' C' ' 697' ' ' TYR . 40.5 t -62.76 -41.93 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' HA ' HG12 ' A' ' 24' ' ' VAL . 48.9 tp -59.77 -37.76 79.92 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.979 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.24 -38.73 92.09 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.615 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.18 -35.82 58.97 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.172 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.7 p -78.7 -28.4 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.683 -178.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.7 92.08 0.2 Allowed Pre-proline 0 CA--C 1.553 1.074 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.505 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.78 -34.98 98.96 Favored 'Trans proline' 0 N--CA 1.505 2.192 0 C-N-CA 122.64 2.226 . . . . 0.0 113.108 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -59.72 -45.94 90.63 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.5 p -80.04 132.7 36.04 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.141 0.275 . . . . 0.0 110.603 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.09 177.43 18.16 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 tt -134.03 142.02 42.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.802 0.334 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 p -78.95 162.21 26.14 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.445 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -62.22 -40.22 95.41 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 123.71 0.804 . . . . 0.0 109.632 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -65.67 -41.96 91.87 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.679 1.191 . . . . 0.0 110.557 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.0 82.39 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.3 mtp -62.83 -41.56 99.38 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.16 -38.43 95.59 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.79 -41.51 92.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.532 ' CE ' HG23 ' A' ' 148' ' ' THR . 93.6 mmm -61.17 -36.27 79.37 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.212 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.2 -43.22 96.12 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -69.03 -33.22 73.27 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.163 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CZ ' HD11 ' A' ' 151' ' ' ILE . 86.6 t80 -62.26 -45.96 90.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.075 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.3 -45.62 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.431 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -63.24 -42.37 99.21 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.887 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -60.11 -47.85 84.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.337 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.486 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 96.6 mt -68.08 -36.3 74.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 O-C-N 123.566 0.541 . . . . 0.0 109.854 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.51 -47.03 76.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.472 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -67.72 -40.69 84.21 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.414 0.446 . . . . 0.0 111.623 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.17 -48.4 78.58 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.349 0.406 . . . . 0.0 111.691 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.449 HD12 HG22 ' A' ' 45' ' ' ILE . 96.8 mt -65.68 -42.74 93.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.41 82.41 Favored 'General case' 0 C--O 1.232 0.15 0 O-C-N 123.403 0.439 . . . . 0.0 111.4 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.19 -45.4 91.56 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.724 -0.551 . . . . 0.0 111.724 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.18 -41.7 96.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.451 0.167 . . . . 0.0 110.752 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.9 97.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -62.65 -41.09 98.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.439 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.57 -41.1 93.95 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.442 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.02 -39.89 93.83 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.636 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.95 93.05 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -65.92 -43.39 88.27 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -63.08 -40.74 98.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.401 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -91.08 2.98 55.91 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.155 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 52.9 33.67 14.99 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.813 0.339 . . . . 0.0 111.308 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.75 111.94 22.58 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.453 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 m -62.37 -36.49 82.43 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.347 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.5 m -108.99 127.94 54.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.6 mt -83.67 135.89 23.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.5 p -129.7 -178.92 4.9 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.16 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -56.02 -32.7 64.24 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.803 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.74 -44.22 97.34 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.41 -46.83 81.59 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.25 0.344 . . . . 0.0 110.678 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.598 HD11 ' HB1' ' A' ' 136' ' ' ALA . 91.7 mt -63.88 -41.92 94.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.937 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -55.55 -43.34 75.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.739 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.5 m -62.25 -45.52 92.96 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.313 0.383 . . . . 0.0 110.129 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.18 90.12 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.452 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 70' ' ' ILE . 73.4 t -62.14 -45.15 99.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.487 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.6 -37.96 89.38 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.17 0.294 . . . . 0.0 111.644 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.91 -32.2 69.06 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -89.68 -36.05 15.45 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp -91.54 139.18 25.05 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -53.06 -177.53 0.03 OUTLIER 'Trans proline' 0 N--CA 1.502 1.989 0 C-N-CA 122.376 2.05 . . . . 0.0 111.71 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.26 -49.59 60.74 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-N 116.479 -0.328 . . . . 0.0 113.052 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.03 -42.72 84.38 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.87 -39.21 93.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.268 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.13 -39.74 95.57 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.441 0.463 . . . . 0.0 111.656 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.96 -47.68 84.82 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.128 0.267 . . . . 0.0 110.937 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -70.19 -35.66 74.09 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.333 0.395 . . . . 0.0 111.347 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.48 83.98 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 83' ' ' ALA . 95.7 t -62.35 -42.38 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.199 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -61.65 -43.9 97.98 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 123.069 0.547 . . . . 0.0 109.683 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.653 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 2.6 mm-40 -67.31 -45.02 77.71 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.686 1.194 . . . . 0.0 111.695 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.26 -47.77 50.14 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 121.425 -0.417 . . . . 0.0 112.19 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -64.58 -46.07 84.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.558 0.218 . . . . 0.0 111.036 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -62.96 -35.81 81.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.757 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.99 94.74 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.272 0.357 . . . . 0.0 110.107 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.62 -46.04 95.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 m -63.78 -42.66 97.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.536 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -61.92 -37.51 84.94 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.083 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -60.31 -48.11 83.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.0 m -67.41 -40.21 85.57 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.137 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.9 m -75.63 -14.5 60.37 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.55 1.54 . . . . 0.0 111.415 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -57.94 -45.09 87.16 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.291 0.636 . . . . 0.0 110.898 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 61.87 -77.33 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.613 0.571 . . . . 0.0 110.526 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.5 p -65.75 -179.73 0.73 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.53 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.567 ' HB1' ' OG ' ' A' ' 108' ' ' SER . . . 66.9 133.05 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.909 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -97.96 -18.37 18.67 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.348 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 m -76.5 139.0 40.61 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.485 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -64.51 -43.4 94.2 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.324 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 m -65.18 -42.01 94.04 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.567 ' OG ' ' HB1' ' A' ' 103' ' ' ALA . 76.8 p -61.98 -42.18 98.85 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.249 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -68.06 -35.83 78.86 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.076 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.539 ' HB1' HD13 ' A' ' 112' ' ' LEU . . . -69.7 -36.55 76.04 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.03 22.63 57.16 Favored Glycine 0 CA--C 1.534 1.248 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.539 HD13 ' HB1' ' A' ' 110' ' ' ALA . 7.4 mp -108.17 135.11 50.06 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.62 -44.01 93.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.261 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -63.06 130.14 93.92 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.361 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.439 ' O ' HG23 ' A' ' 119' ' ' VAL . 36.0 Cg_exo -57.67 108.3 0.37 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.219 1.946 . . . . 0.0 111.822 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.582 HG11 HG22 ' A' ' 138' ' ' VAL . 92.2 t -63.57 -43.27 98.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.32 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.05 -38.53 95.69 Favored Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.676 -0.569 . . . . 0.0 111.676 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -66.35 -38.6 87.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.326 0.108 . . . . 0.0 111.222 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 115' ' ' PRO . 87.4 t -59.49 -43.66 91.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -57.67 -43.21 84.88 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.373 0.42 . . . . 0.0 110.326 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -67.3 -39.45 85.94 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.014 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.21 -43.21 99.24 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.576 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.65 -44.64 95.77 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.254 0.346 . . . . 0.0 110.821 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -66.35 -30.27 70.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.939 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.5 -36.89 81.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.328 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.42 5.85 26.36 Favored Glycine 0 CA--C 1.541 1.669 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 42.93 30.06 0.22 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 117.227 0.513 . . . . 0.0 111.85 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.92 -43.67 98.37 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.504 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.7 p -136.52 160.88 37.44 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.71 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.18 -37.89 86.72 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -137.67 147.04 44.55 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.536 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.3 t -126.4 136.7 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -79.01 173.29 55.37 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -89.33 -34.73 16.44 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.98 -36.23 92.83 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -58.6 -59.55 13.23 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.542 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 48.6 Cg_exo -53.78 -38.48 85.26 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.792 1.661 . . . . 0.0 111.414 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.582 HG22 HG11 ' A' ' 116' ' ' VAL . 85.3 t -62.74 -45.46 98.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -61.21 -46.09 91.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.137 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 32.2 tp -62.25 -42.25 99.16 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.481 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.32 83.87 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -65.23 -41.42 94.4 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 92.0 t -65.11 -45.93 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.162 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.64 -40.17 96.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -64.11 -41.22 97.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.553 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -62.06 -45.07 95.15 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 68.4 mt -61.22 -40.71 95.0 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.764 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.532 HG23 ' CE ' ' A' ' 38' ' ' MET . 17.3 m -63.09 -45.91 89.86 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.389 0.431 . . . . 0.0 110.849 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.48 84.87 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.816 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.5 -41.97 98.52 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.527 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.54 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 92.0 mt -63.22 -43.58 98.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.451 HD22 HD13 ' A' ' 21' ' ' LEU . 85.8 mt -61.87 -39.21 91.11 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.458 0.473 . . . . 0.0 111.048 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.437 ' HG3' HG21 ' A' ' 24' ' ' VAL . 93.4 mt-10 -61.46 -48.05 82.9 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.125 0.265 . . . . 0.0 110.601 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.454 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 34.9 mt -65.22 -41.69 94.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.398 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.465 ' HB2' HD23 ' A' ' 172' ' ' LEU . . . -60.93 -37.58 82.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.375 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.8 -43.22 99.52 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -61.85 -44.27 97.17 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.89 88.47 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.39 0.432 . . . . 0.0 109.95 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -58.25 -46.83 85.24 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.269 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -62.98 -38.39 90.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.226 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.13 -30.53 71.59 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -92.44 12.58 22.3 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.699 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.45 35.81 26.32 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.975 0.417 . . . . 0.0 111.198 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.694 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 98.7 mttt -137.77 117.0 12.64 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.57 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 4.5 m -66.53 -45.2 80.24 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.91 154.26 26.75 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.322 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 66.4 mt -109.93 131.14 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 19.0 pt -127.78 165.72 28.25 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.283 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.97 -36.74 54.63 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.288 1.992 . . . . 0.0 112.234 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -61.53 -40.0 93.09 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.424 0.453 . . . . 0.0 109.87 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -67.25 -43.75 81.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 155' ' ' ALA . 70.8 mt -62.49 -43.6 98.42 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.013 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -66.96 -38.99 87.11 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.246 0.341 . . . . 0.0 110.679 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 174' ' ' LEU . 9.7 tt -61.85 -45.16 95.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -67.99 -41.82 81.71 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.272 0.358 . . . . 0.0 111.693 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.74 -44.17 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.406 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -65.85 -34.27 77.76 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.373 0.421 . . . . 0.0 111.516 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -77.16 -16.48 59.11 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.24 0.337 . . . . 0.0 111.814 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -102.67 113.79 27.48 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -62.97 -40.44 97.71 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.465 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -60.82 -48.09 83.38 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 123.386 0.429 . . . . 0.0 111.312 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.86 -35.37 80.42 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.905 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -59.24 -38.2 79.44 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.18 -45.6 92.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.261 0.351 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.8 -40.51 83.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.404 HD21 ' HE1' ' A' ' 41' ' ' PHE . 86.4 mt -98.07 21.44 10.76 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.267 -178.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.2 -37.82 74.44 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -103.44 28.49 6.4 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.463 0.173 . . . . 0.0 111.461 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.34 130.6 72.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.2 t -122.88 130.78 53.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.655 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 69.1 mt -109.54 -28.77 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.192 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -56.87 178.58 0.06 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.588 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 57.49 90.32 0.04 OUTLIER 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.246 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 117.957 -1.469 . . . . 0.0 110.91 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptt? . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -104.21 128.65 51.96 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.886 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.2 pt -135.52 147.06 28.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 O-C-N 123.686 0.616 . . . . 0.0 109.942 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -108.51 141.91 39.69 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -122.85 128.64 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -115.66 153.72 30.8 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.2 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -124.24 161.48 25.69 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.384 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.71 -20.11 60.36 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.796 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 47.7 p -69.67 -22.6 63.43 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 119.087 -2.258 . . . . 0.0 111.567 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.12 11.1 34.98 Favored Glycine 0 C--N 1.357 1.75 0 O-C-N 120.971 -1.08 . . . . 0.0 112.545 -173.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -92.24 151.84 20.14 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 117.215 0.507 . . . . 0.0 110.071 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -135.08 129.65 34.31 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.316 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.42 HD12 ' HD2' ' B' ' 33' ' ' LYS . 47.9 pt -124.98 137.11 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.198 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.412 HG22 ' H ' ' B' ' 14' ' ' THR . 4.9 t -88.72 119.91 29.64 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.42 0.688 . . . . 0.0 110.618 -177.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.02 132.53 49.11 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 121.684 -0.635 . . . . 0.0 111.031 -174.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -110.82 114.96 28.7 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.905 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -138.11 159.67 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.316 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -91.76 151.26 42.08 Favored Pre-proline 0 CA--C 1.541 0.625 0 O-C-N 123.29 0.368 . . . . 0.0 110.666 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.1 -39.74 89.28 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 122.234 1.956 . . . . 0.0 112.53 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -64.77 -20.76 66.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -63.13 142.36 58.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.583 0.23 . . . . 0.0 110.627 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.6 p -81.2 161.15 24.12 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.06 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.49 -42.07 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.601 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -55.44 -39.79 70.74 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.255 0.347 . . . . 0.0 110.133 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -63.16 -39.29 94.22 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.043 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.72 -42.8 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.22 -38.24 79.47 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.4 93.09 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.435 0.459 . . . . 0.0 110.202 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -64.6 -40.29 95.24 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.56 -41.68 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -55.74 -37.7 68.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -66.39 -36.9 84.02 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.251 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.42 ' HD2' HD12 ' B' ' 13' ' ' ILE . 98.5 mttt -88.36 -31.91 18.66 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -95.22 -43.08 8.23 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 126.493 1.917 . . . . 0.0 114.831 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.18 23.25 49.25 Favored Glycine 0 C--N 1.356 1.666 0 C-N-CA 124.68 1.133 . . . . 0.0 112.072 -170.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -101.71 137.92 19.7 Favored Pre-proline 0 CA--C 1.547 0.863 0 CA-C-O 119.19 -0.433 . . . . 0.0 109.984 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -59.74 131.45 40.0 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 121.987 1.791 . . . . 0.0 111.941 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -61.66 -25.6 79.22 Favored 'Trans proline' 0 N--CA 1.502 2.029 0 C-N-CA 122.356 2.037 . . . . 0.0 112.737 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.89 -36.27 83.37 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 117.992 -1.483 . . . . 0.0 108.804 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -91.15 10.69 25.95 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.636 -174.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -97.95 131.99 43.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.74 0.305 . . . . 0.0 111.331 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.432 HH21 HD13 ' C' ' 676' ' ' LEU . 32.3 mtp85 -119.0 124.39 46.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.563 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' B' ' 50' ' ' LEU . 55.0 mt -105.4 134.58 48.29 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.583 HD11 HD12 ' C' ' 676' ' ' LEU . 95.6 mt -129.07 133.9 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 O-C-N 123.437 0.46 . . . . 0.0 110.923 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.417 ' HD1' HD23 ' B' ' 67' ' ' LEU . 80.5 t80 -123.68 132.61 53.88 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.87 16.79 3.83 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.01 17.08 61.88 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-O 119.931 -0.372 . . . . 0.0 112.676 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -115.78 138.85 50.73 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 117.297 0.548 . . . . 0.0 109.68 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.45 151.83 19.24 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.114 0.259 . . . . 0.0 110.481 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' B' ' 43' ' ' LEU . 91.5 mt -118.76 129.14 55.09 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.014 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -77.51 134.37 38.33 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.829 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.84 -37.54 87.98 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.807 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.26 12.79 24.12 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.322 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -112.11 157.31 20.96 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 117.413 0.607 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 78.9 p -94.75 161.54 14.13 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.51 -42.43 99.51 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.239 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 96.3 p -60.05 -30.5 69.24 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.429 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.52 -26.29 68.48 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.186 0.304 . . . . 0.0 111.161 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -92.71 10.49 30.47 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.676 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 m120 55.52 36.79 27.87 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.002 0.43 . . . . 0.0 110.879 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.5 mt -84.13 129.4 37.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -96.88 -175.38 3.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.503 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.01 149.33 47.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.809 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 53.06 87.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.922 0.392 . . . . 0.0 110.331 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -129.91 153.4 48.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.319 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 23.6 m -108.01 120.28 41.84 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.375 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.417 HD23 ' HD1' ' B' ' 45' ' ' PHE . 43.3 mt -119.33 127.33 53.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.864 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -89.72 150.58 22.25 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.624 0.578 . . . . 0.0 110.248 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 28.5 tp -114.94 134.05 55.49 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 112.008 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.545 HG22 ' HB1' ' C' ' 673' ' ' ALA . 19.3 t -128.02 163.44 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.481 ' N ' HG12 ' B' ' 70' ' ' VAL . 12.5 tp -112.35 118.04 34.12 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -80.2 137.52 36.69 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.591 HD13 ' HD2' ' C' ' 684' ' ' ARG . 78.5 mt -104.69 168.31 9.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 62.33 136.48 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.372 0.42 . . . . 0.0 110.431 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.15 165.66 40.12 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -60.99 -45.2 95.8 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 60.4 ttp -120.19 147.65 44.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.442 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.64 -59.76 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.166 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.1 -25.92 58.12 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 122.23 1.954 . . . . 0.0 112.848 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.444 HG12 ' CE ' ' C' ' 659' ' ' MET . 49.2 t -65.1 -42.25 93.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.457 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 32.4 mt -60.82 -43.34 98.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.991 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -64.57 -40.87 96.33 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 123.186 0.304 . . . . 0.0 110.506 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.8 -39.63 84.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.457 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 74.9 mtm -64.98 -39.03 92.86 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.732 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.12 -43.87 98.21 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.276 0.36 . . . . 0.0 110.636 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.46 -43.05 91.53 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.395 0.435 . . . . 0.0 110.96 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.57 -41.14 96.48 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.458 0.473 . . . . 0.0 111.104 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.97 -41.52 98.09 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.408 0.442 . . . . 0.0 111.11 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -62.26 -43.02 99.78 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.304 0.377 . . . . 0.0 110.824 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -71.28 -37.9 71.85 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.019 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -62.88 -46.21 88.91 Favored 'General case' 0 CA--C 1.522 -0.123 0 O-C-N 123.376 0.422 . . . . 0.0 110.019 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -64.62 -32.29 73.88 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.591 0.557 . . . . 0.0 110.743 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.59 -47.72 84.97 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -38.17 75.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.8 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -64.8 -40.38 95.13 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.425 0.453 . . . . 0.0 111.439 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.37 -47.29 73.87 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.257 0.348 . . . . 0.0 110.581 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.497 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.1 tm? -66.3 -41.72 89.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.953 0.406 . . . . 0.0 109.917 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.545 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -63.43 -39.76 95.36 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.494 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.83 -38.48 91.11 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.509 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.58 -41.52 97.52 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.667 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.583 HD12 HD11 ' B' ' 44' ' ' ILE . 79.0 mt -62.79 -42.12 99.56 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.234 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -61.13 -41.18 96.26 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.019 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -70.11 -42.44 72.65 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.41 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 44.3 mtm -63.17 -45.27 92.62 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.246 0.341 . . . . 0.0 111.206 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.587 ' C ' HD12 ' B' ' 73' ' ' LEU . 33.1 m-85 -65.26 -40.55 94.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.637 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.39 -31.88 71.54 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.555 0.534 . . . . 0.0 110.682 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.14 -38.89 88.0 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.543 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -60.37 -37.79 81.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.203 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.592 ' O ' HG23 ' C' ' 686' ' ' THR . 74.0 mtp180 -64.76 -37.58 88.07 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -33.12 132.59 0.16 Allowed 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.863 0.727 . . . . 0.0 111.616 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 686' ' ' THR . . . . . 0.592 HG23 ' O ' ' C' ' 684' ' ' ARG . 68.6 p -132.02 173.95 10.68 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.586 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.57 -41.09 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.664 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 5.2 t -53.09 -25.64 13.63 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.085 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 60.23 158.95 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.448 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -108.88 159.46 16.78 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.555 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -126.42 151.03 48.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.507 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -60.96 148.2 46.06 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 30.6 p -155.39 168.19 27.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.501 0.191 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.41 126.59 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.825 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -83.75 -20.37 33.48 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.435 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -56.22 150.07 15.01 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.417 ' OH ' HG22 ' A' ' 20' ' ' VAL . 44.1 m-85 -62.96 158.92 18.05 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.207 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 67.5 mt -79.03 133.5 36.81 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.3 128.03 51.92 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.565 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -64.91 -36.15 83.44 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.347 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 91.9 p -56.97 -32.96 66.6 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.817 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 73.8 p -100.73 69.05 1.35 Allowed 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.06 0.457 . . . . 0.0 110.685 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -62.59 -42.38 99.53 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.462 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 71.1 mtm -66.67 -38.8 87.58 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 55.6 92.92 0.03 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.474 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 80.81 156.9 14.93 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -154.77 152.9 30.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.558 0.218 . . . . 0.0 110.571 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.453 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -140.73 156.14 46.28 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.724 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -56.79 141.0 45.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.375 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 m -107.26 115.66 30.56 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.394 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -110.07 25.01 12.26 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.533 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -57.76 -40.83 80.69 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.706 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.19 -43.07 92.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -63.85 -44.73 92.25 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.086 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.26 -37.68 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -56.62 -40.91 76.19 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 123.37 0.418 . . . . 0.0 109.962 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.86 -41.76 96.52 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.425 0.453 . . . . 0.0 109.996 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.74 -43.09 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD22 ' HB ' ' A' ' 30' ' ' ILE . 33.8 tp -59.76 -45.15 93.13 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -69.61 -32.76 71.67 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.41 0.444 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -68.52 -35.25 77.2 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.63 -41.87 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 123.357 0.411 . . . . 0.0 111.925 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 41.2 m-70 -157.12 90.79 2.45 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 123.166 0.291 . . . . 0.0 110.566 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.7 -35.23 92.81 Favored 'Trans proline' 0 N--CA 1.504 2.092 0 C-N-CA 122.504 2.136 . . . . 0.0 112.928 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.2 -44.22 97.63 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.459 0.474 . . . . 0.0 111.799 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.5 p -76.22 134.79 39.76 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.43 0.456 . . . . 0.0 110.905 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.45 173.44 17.05 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.409 ' HB ' HD22 ' A' ' 21' ' ' LEU . 17.8 tt -134.25 146.66 30.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.8 0.333 . . . . 0.0 110.407 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.7 t -80.4 146.98 31.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.136 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.6 p -59.62 -30.49 68.74 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 123.316 0.646 . . . . 0.0 110.246 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -68.06 -39.61 82.94 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 122.996 0.518 . . . . 0.0 110.345 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.08 93.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mtp -61.92 -43.64 98.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.15 -42.37 99.72 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.75 -43.25 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.7 mmm -65.23 -38.11 89.36 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.475 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.47 -42.32 99.4 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.336 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.7 p -65.45 -36.52 84.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.169 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CE1' HD21 ' A' ' 186' ' ' LEU . 52.3 t80 -61.72 -42.79 99.43 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.08 -43.41 96.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.15 -43.08 96.03 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.358 0.411 . . . . 0.0 110.808 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.08 -43.59 91.68 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.321 0.388 . . . . 0.0 110.929 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.5 mm -64.8 -41.58 92.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.421 ' CD2' HD21 ' A' ' 140' ' ' LEU . 89.7 t80 -55.31 -45.59 76.29 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.446 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.39 -40.0 92.9 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.394 0.434 . . . . 0.0 111.687 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -64.07 -44.49 92.22 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.23 0.331 . . . . 0.0 111.763 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.595 HG21 HD13 ' A' ' 140' ' ' LEU . 18.9 mm -64.61 -46.27 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.314 0.384 . . . . 0.0 110.373 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.64 95.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.441 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.38 93.92 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -66.37 -42.11 88.46 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.57 91.51 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.364 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.2 t -61.06 -43.92 98.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.995 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -63.54 -40.55 97.31 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.382 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.69 -39.76 95.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.652 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.51 85.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.374 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -62.32 -43.11 99.59 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.024 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -63.61 -39.51 94.54 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.405 0.441 . . . . 0.0 110.264 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -85.33 -1.53 57.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.077 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 53.74 33.51 16.98 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.865 0.364 . . . . 0.0 111.289 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -98.9 136.02 39.5 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.624 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m -87.57 -11.95 47.17 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.65 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.4 m -119.46 127.66 53.28 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.634 0.255 . . . . 0.0 110.63 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.431 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 91.0 mt -82.23 136.95 21.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 p -127.43 171.73 11.29 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.697 0.623 . . . . 0.0 111.226 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.6 p -57.54 -33.44 68.11 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.772 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -60.41 -42.9 96.96 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.23 0.331 . . . . 0.0 110.762 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE2' ' HA ' ' A' ' 65' ' ' ILE . 93.8 mt-10 -64.96 -44.55 89.02 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.235 0.334 . . . . 0.0 110.328 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.644 HD11 ' HB1' ' A' ' 136' ' ' ALA . 86.6 mt -64.51 -42.27 94.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.932 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -55.28 -44.81 75.99 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.178 0.299 . . . . 0.0 110.881 -178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.7 m -63.45 -41.97 98.64 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.283 0.365 . . . . 0.0 110.425 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.92 98.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.829 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.404 HG21 HG21 ' A' ' 143' ' ' VAL . 75.6 t -62.08 -43.86 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 123.283 0.365 . . . . 0.0 110.206 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.26 -38.23 90.33 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.307 0.379 . . . . 0.0 111.488 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.4 mt -74.08 -32.4 63.24 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.4 mt -85.39 -36.92 20.39 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 78' ' ' LEU . 7.7 mp -97.68 150.03 36.35 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -58.43 165.73 7.15 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 C-N-CA 122.385 2.057 . . . . 0.0 111.544 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.33 -47.16 76.95 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.455 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.69 -46.95 87.51 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.781 0.291 . . . . 0.0 111.512 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.04 -39.12 92.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.14 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.9 -40.96 97.71 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.981 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -60.22 -45.58 92.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.311 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -69.55 -39.17 77.58 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.346 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.16 84.38 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.23 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 83' ' ' ALA . 78.7 t -61.74 -42.68 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.385 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.2 m -62.89 -37.09 85.54 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.94 -45.65 70.22 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 122.825 0.45 . . . . 0.0 111.508 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.52 -42.11 89.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.5 m -60.91 -48.32 82.36 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.04 -36.86 82.99 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 123.479 0.487 . . . . 0.0 110.819 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.82 92.66 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -66.48 -43.03 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -59.77 -42.01 92.36 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.852 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -61.34 -42.7 99.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.36 -45.85 92.03 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.5 p -68.75 -33.86 74.62 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.049 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.5 p -73.92 -36.82 64.75 Favored 'General case' 0 N--CA 1.437 -1.09 0 O-C-N 118.504 -2.623 . . . . 0.0 110.1 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.2 m -99.45 111.24 23.63 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 118.668 -1.213 . . . . 0.0 110.711 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.12 161.67 17.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.553 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p 57.97 21.39 7.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.187 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.479 ' HB3' ' HG3' ' A' ' 109' ' ' ARG . . . -58.49 165.43 2.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -66.68 -45.23 79.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.873 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.4 p -134.13 166.17 23.38 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.778 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -66.61 -43.73 84.03 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 m -61.19 -34.37 74.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.651 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.0 t -61.15 -38.5 86.66 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.326 0.391 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.479 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 99.4 mtt180 -61.88 -35.33 78.0 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.692 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.56 -26.59 21.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.314 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.62 30.47 72.92 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.0 mt -106.56 132.26 52.78 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -41.41 71.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.528 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -62.16 145.05 94.03 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.429 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.425 ' O ' HG23 ' A' ' 119' ' ' VAL . 39.8 Cg_endo -70.47 105.63 1.64 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.002 1.801 . . . . 0.0 111.992 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.07 -44.23 97.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.17 -39.07 96.64 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -63.77 -41.14 98.02 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.624 -0.139 . . . . 0.0 110.624 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 115' ' ' PRO . 86.9 t -59.43 -44.52 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.516 ' CE1' ' HB ' ' A' ' 132' ' ' VAL . 11.2 t-80 -59.59 -44.03 93.48 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.441 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -65.94 -38.98 90.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.14 -41.64 98.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.505 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.86 -43.2 98.69 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.25 0.344 . . . . 0.0 110.784 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.5 ttp85 -64.32 -40.77 96.57 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.456 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.87 -40.69 98.28 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.41 -8.99 41.06 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 30.3 m120 57.42 31.82 20.81 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.769 0.284 . . . . 0.0 111.399 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -64.11 -43.1 96.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.307 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 42.1 t -146.46 163.02 37.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.59 -38.02 83.41 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.003 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -131.61 150.21 52.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.74 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.516 ' HB ' ' CE1' ' A' ' 120' ' ' HIS . 57.4 t -130.83 138.12 54.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -86.57 177.92 48.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -91.76 -33.46 15.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.85 0.357 . . . . 0.0 110.956 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.33 -19.28 74.15 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.848 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.764 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -75.26 -58.72 1.44 Allowed Pre-proline 0 CA--C 1.54 0.568 0 CA-C-O 118.877 -0.582 . . . . 0.0 109.969 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 37.1 Cg_exo -55.09 -38.25 93.58 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.69 1.593 . . . . 0.0 111.145 178.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 134' ' ' ALA . 95.8 t -64.67 -45.56 94.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 143' ' ' VAL . 54.1 t80 -62.3 -46.07 90.39 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.011 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 49' ' ' ILE . 34.5 tp -63.05 -39.77 95.73 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.504 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.51 87.09 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.479 0.487 . . . . 0.0 110.646 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.65 82.93 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.422 0.451 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 139' ' ' TYR . 66.1 t -63.38 -46.76 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.333 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.51 -41.56 98.51 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.403 0.439 . . . . 0.0 110.668 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -64.76 -37.48 87.74 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.362 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -60.22 -47.05 87.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.258 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.87 -42.56 99.8 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.241 0.338 . . . . 0.0 110.823 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.9 m -63.13 -43.14 99.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.78 99.16 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.538 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -66.31 -42.29 88.47 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.281 0.363 . . . . 0.0 111.572 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.28 -43.13 97.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.75 -40.97 98.91 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.396 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -68.21 -44.96 74.6 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.111 0.257 . . . . 0.0 110.69 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.623 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 74.2 mt -62.49 -40.5 96.88 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.69 83.33 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.175 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -60.17 -42.45 98.61 Favored Glycine 0 C--N 1.337 0.633 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -63.41 -41.84 98.73 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.67 98.52 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.48 -35.18 79.63 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.833 178.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -58.38 -44.24 88.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.09 -34.76 78.77 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.295 0.372 . . . . 0.0 110.486 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -89.63 17.89 6.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.503 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 60.2 pttt 41.14 41.16 1.28 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 121.025 0.44 . . . . 0.0 111.638 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -110.64 143.68 40.7 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.213 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 75.8 p -104.57 8.82 35.48 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.477 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -130.11 125.72 35.81 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 79.2 mt -78.27 129.58 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 17.0 pt -127.92 165.0 33.26 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.013 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.1 -35.29 50.86 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.15 1.9 . . . . 0.0 112.3 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -61.96 -40.11 94.42 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -66.73 -41.17 88.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.451 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.99 -42.82 99.95 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.584 0.552 . . . . 0.0 110.947 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -65.3 -42.17 93.33 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.18 -41.97 96.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.256 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -62.98 -40.33 97.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.477 HD13 HD13 ' A' ' 186' ' ' LEU . 92.4 mt -64.33 -43.9 97.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.278 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -69.81 -21.64 63.37 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.384 0.427 . . . . 0.0 111.801 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.21 -16.32 59.11 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -114.16 119.73 38.09 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -64.25 -36.48 84.21 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.416 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -65.24 -46.41 80.7 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.39 0.432 . . . . 0.0 111.268 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.66 -35.26 80.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.719 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -60.17 -40.81 91.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.262 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.75 -44.61 92.97 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.471 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 39.1 tp -65.77 -40.92 92.48 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.477 HD13 HD13 ' A' ' 176' ' ' ILE . 66.4 mt -96.65 17.4 16.5 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.116 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -60.09 -35.68 88.24 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -98.94 11.1 39.92 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 85.8 t -123.99 128.75 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.4 m -119.07 123.36 44.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.436 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 44.0 mm -63.18 -44.82 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.091 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -141.29 143.59 34.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.715 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -138.58 -48.6 0.52 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.098 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.735 0 CA-C-O 117.984 -1.453 . . . . 0.0 110.954 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttp . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -115.05 131.35 56.95 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.9 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.45 HD12 HD12 ' B' ' 67' ' ' LEU . 43.1 pt -129.44 154.02 39.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.01 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -107.93 143.36 36.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.668 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.56 127.7 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -114.78 150.07 35.99 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.224 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 63.0 p -119.84 166.5 13.2 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.503 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.83 -20.17 63.36 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.4 p -70.26 -25.38 63.33 Favored 'General case' 0 N--CA 1.441 -0.913 0 O-C-N 119.612 -1.93 . . . . 0.0 111.397 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.89 11.68 31.84 Favored Glycine 0 C--N 1.358 1.775 0 O-C-N 121.001 -1.062 . . . . 0.0 112.541 -174.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -91.99 153.35 19.51 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 36.3 m -130.28 130.11 44.12 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.3 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.603 HD12 ' HD2' ' B' ' 33' ' ' LYS . 45.7 pt -123.8 136.02 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.205 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -91.33 129.22 37.35 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.76 -177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.478 HD11 ' HD3' ' B' ' 29' ' ' LYS . 14.3 tp -127.37 134.36 49.95 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.701 -175.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -105.66 114.37 28.5 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.259 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.11 166.14 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.144 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -109.76 159.23 32.45 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.494 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -54.89 -29.76 65.19 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.284 1.99 . . . . 0.0 112.539 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.5 m -80.23 -15.02 57.92 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -62.66 142.97 57.83 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.558 0.218 . . . . 0.0 110.595 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 8.3 p -83.09 156.27 23.41 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.954 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 33.2 mm -64.42 -42.63 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.731 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -56.36 -39.69 73.3 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.238 0.336 . . . . 0.0 110.118 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -61.47 -39.28 90.32 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.095 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.41 -43.11 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.61 -38.35 89.86 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.996 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.36 96.48 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.382 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.478 ' HD3' HD11 ' B' ' 15' ' ' LEU . 61.0 mttp -63.28 -39.91 95.89 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.93 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.79 -41.35 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -54.74 -39.0 67.83 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.67 -35.79 81.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.901 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.603 ' HD2' HD12 ' B' ' 13' ' ' ILE . 98.5 mttt -78.85 -45.55 20.51 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.567 ' HG2' HD11 ' B' ' 36' ' ' ILE . 23.2 tp10 -95.46 -36.93 11.14 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.04 31.41 9.2 Favored Glycine 0 C--N 1.356 1.691 0 C-N-CA 124.43 1.014 . . . . 0.0 111.948 -170.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.567 HD11 ' HG2' ' B' ' 34' ' ' GLU . 59.7 mt -99.36 115.99 65.32 Favored Pre-proline 0 CA--C 1.552 1.023 0 CA-C-O 118.96 -0.543 . . . . 0.0 110.108 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -49.88 135.97 35.87 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.352 2.035 . . . . 0.0 111.843 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.18 -35.51 63.27 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.302 2.001 . . . . 0.0 112.891 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.553 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 68.6 m-20 -60.78 -36.61 79.41 Favored 'General case' 0 N--CA 1.427 -1.623 0 C-N-CA 119.055 -1.058 . . . . 0.0 108.389 -178.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -92.6 11.84 25.19 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 122.696 0.399 . . . . 0.0 112.075 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.454 ' HG3' HG22 ' B' ' 36' ' ' ILE . 86.2 mt-30 -108.03 125.17 51.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -117.04 134.34 54.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.516 ' HB3' HD12 ' B' ' 50' ' ' LEU . 75.1 mt -114.09 136.76 52.57 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.638 HD11 HD12 ' C' ' 676' ' ' LEU . 97.6 mt -129.94 139.01 52.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 123.469 0.481 . . . . 0.0 110.439 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -124.14 126.24 45.83 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.21 26.95 8.99 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 13.76 76.99 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-N 116.561 -0.291 . . . . 0.0 112.423 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -109.94 135.09 51.35 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.412 ' OE1' HD13 ' C' ' 676' ' ' LEU . 61.7 tp60 -64.86 143.18 58.12 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.398 0.436 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' B' ' 43' ' ' LEU . 63.1 mt -110.94 134.9 52.2 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.543 0.527 . . . . 0.0 110.935 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -84.59 134.76 34.38 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.344 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -65.82 -35.33 80.38 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.788 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.72 15.79 45.01 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 113.061 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -121.22 156.16 33.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.294 0.547 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' OD1' ' B' ' 58' ' ' ASP . 70.3 p -86.5 164.76 16.75 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.37 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.09 -37.91 89.03 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.321 0.388 . . . . 0.0 111.041 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.3 t -59.22 -27.65 65.94 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.376 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 55' ' ' THR . 1.8 p-10 -56.37 -31.0 63.39 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 111.458 0.169 . . . . 0.0 111.458 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -100.67 12.67 36.95 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 57.99 43.36 21.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.008 0.432 . . . . 0.0 111.169 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -79.72 127.4 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -104.81 -177.9 3.5 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.818 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.31 148.37 45.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.101 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 56.4 82.35 0.11 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.336 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.0 p -131.28 156.37 45.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.347 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 27.9 m -112.67 126.22 55.14 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.453 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.45 HD12 HD12 ' B' ' 3' ' ' ILE . 69.2 mt -117.33 125.34 50.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.276 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -86.43 149.6 24.88 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.051 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 tp -111.51 131.16 55.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.081 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.84 HG22 ' HB1' ' C' ' 673' ' ' ALA . 15.6 t -129.03 164.2 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.74 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.489 ' N ' HG12 ' B' ' 70' ' ' VAL . 10.1 tp -103.63 115.07 29.82 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 40.6 ttm180 -79.73 136.36 36.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' C' ' 680' ' ' PHE . 74.3 mt -121.37 35.6 4.84 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.876 0.369 . . . . 0.0 111.646 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.432 ' H ' ' HG2' ' B' ' 72' ' ' ARG . 94.0 mtt-85 -125.98 145.86 50.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.765 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.33 -168.02 51.3 Favored Glycine 0 N--CA 1.465 0.612 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.709 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -131.36 151.38 51.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 110.751 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 93.5 mtp -64.4 -33.55 76.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.02 56.73 1.07 Allowed Pre-proline 0 CA--C 1.556 1.211 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.244 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.54 -8.44 22.55 Favored 'Trans proline' 0 N--CA 1.503 2.041 0 C-N-CA 122.035 1.823 . . . . 0.0 112.696 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.49 -41.59 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.413 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 69.8 mt -60.18 -44.26 95.2 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.145 0.278 . . . . 0.0 110.878 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.54 -41.6 88.47 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.923 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.83 -39.37 87.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.223 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.413 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 67.6 mtm -63.48 -36.64 84.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.53 -44.56 90.46 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.202 0.313 . . . . 0.0 110.551 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -68.84 -44.42 73.46 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 123.353 0.408 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.44 -39.63 94.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.92 -39.01 93.25 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 123.403 0.439 . . . . 0.0 110.849 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -62.2 -43.64 98.36 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.197 0.311 . . . . 0.0 110.702 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -73.29 -38.83 65.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.72 -45.76 88.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.203 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.63 -34.8 78.64 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.444 0.465 . . . . 0.0 110.671 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -60.63 -46.91 88.51 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.48 -37.31 74.22 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -63.89 -38.12 89.92 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.332 0.395 . . . . 0.0 111.076 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.92 -45.73 80.81 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.345 0.403 . . . . 0.0 110.016 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.506 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -65.55 -42.08 92.27 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.84 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -63.24 -38.55 91.59 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.463 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 674' ' ' LEU . . . . . 0.424 HD21 ' NH2' ' C' ' 678' ' ' ARG . 23.1 tp -61.25 -38.56 87.14 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.96 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.54 -42.73 99.72 Favored 'General case' 0 C--O 1.232 0.17 0 O-C-N 123.44 0.462 . . . . 0.0 110.035 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.638 HD12 HD11 ' B' ' 44' ' ' ILE . 92.7 mt -64.89 -43.96 91.22 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.011 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.79 -42.72 98.13 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.231 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 678' ' ' ARG . . . . . 0.424 ' NH2' HD21 ' C' ' 674' ' ' LEU . 99.2 mtt180 -67.92 -44.49 76.75 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.764 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 66.6 mtm -65.08 -45.51 84.99 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.566 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.43 ' HB3' HD12 ' B' ' 73' ' ' LEU . 22.1 m-85 -63.7 -41.27 98.14 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.587 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.47 -33.91 74.99 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.51 0.506 . . . . 0.0 110.694 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.78 -40.83 89.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.584 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -56.81 -39.48 74.23 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.413 0.446 . . . . 0.0 110.047 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -94.33 2.88 55.8 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.474 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 84.0 mtm-85 63.13 176.77 0.15 Allowed 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.011 0.525 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 76.7 p -129.64 153.59 47.96 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.414 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.65 -44.91 89.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 46.6 t -161.11 168.45 24.3 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.979 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -63.45 -36.96 85.49 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -46.25 117.54 1.6 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.056 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -122.69 133.77 54.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.411 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 81.33 25.72 53.83 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 87.2 p -80.11 -15.61 56.75 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.456 0.169 . . . . 0.0 111.016 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 35.9 m -99.29 26.35 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 120.832 0.348 . . . . 0.0 110.594 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -81.05 -17.97 48.34 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.39 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -129.87 144.71 51.45 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -70.98 -179.12 2.16 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.203 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 14.7 tp -90.55 126.13 35.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.526 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 74.3 mt -130.21 150.9 51.25 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.339 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -61.42 142.61 56.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.54 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 31.2 p -153.35 159.05 42.38 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.594 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 87.0 p -92.17 1.34 57.27 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.424 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -62.78 -39.75 95.18 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 122.207 0.203 . . . . 0.0 110.763 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 77.8 mtm 55.12 177.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.483 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -105.57 155.39 19.25 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.606 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 128.14 170.86 12.89 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -136.37 149.67 48.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.481 0.181 . . . . 0.0 110.516 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.52 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.49 151.72 21.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.577 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -121.92 145.57 47.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.77 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 p -104.24 81.19 1.8 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.585 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -89.26 18.74 4.85 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.499 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.7 p -60.19 -41.73 93.57 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.986 0.422 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.45 -42.25 80.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.939 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -64.34 -43.42 94.64 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.08 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 14' ' ' SER . 12.2 p -63.08 -37.24 78.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.45 -41.53 85.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.64 -45.05 93.15 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.095 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.409 HG13 ' CE2' ' C' ' 697' ' ' TYR . 41.2 t -63.82 -39.54 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.45 HD13 HD22 ' A' ' 152' ' ' LEU . 58.1 tp -57.28 -45.26 84.27 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.51 -35.78 75.84 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.347 0.404 . . . . 0.0 110.366 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.66 -36.31 78.4 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.772 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' C' ' 697' ' ' TYR . 9.4 p -80.78 -37.51 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.719 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -172.71 92.66 0.38 Allowed Pre-proline 0 CA--C 1.548 0.897 0 O-C-N 123.267 0.354 . . . . 0.0 110.678 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.03 -33.5 95.82 Favored 'Trans proline' 0 N--CA 1.505 2.168 0 C-N-CA 122.616 2.21 . . . . 0.0 112.959 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -59.24 -46.05 89.53 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.023 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.6 p -76.87 132.07 38.94 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.302 0.376 . . . . 0.0 110.824 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.0 174.81 20.99 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.8 tt -137.94 141.82 37.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.756 0.313 . . . . 0.0 110.277 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -80.57 162.26 24.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.065 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -61.98 -37.77 86.07 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 123.323 0.649 . . . . 0.0 109.895 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.83 -44.94 84.06 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.143 0.577 . . . . 0.0 111.001 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.13 93.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 ttm -62.41 -45.42 93.21 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.328 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.59 -39.23 97.61 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.31 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.56 -41.58 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.0 mmm -61.01 -36.24 78.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.257 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.27 -42.24 98.3 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 m -67.19 -33.99 76.57 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.463 0.477 . . . . 0.0 110.478 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.496 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 83.5 t80 -60.42 -44.28 95.91 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.403 HG13 HD22 ' A' ' 144' ' ' LEU . 59.7 t -66.93 -43.75 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.078 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -62.68 -41.02 98.88 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.787 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -60.35 -48.63 80.93 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.496 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 96.7 mt -67.4 -40.66 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.239 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.423 ' CD1' HD21 ' A' ' 140' ' ' LEU . 67.5 t80 -54.76 -46.19 74.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.71 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.85 -41.1 83.45 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.421 0.451 . . . . 0.0 112.142 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.23 -46.42 83.9 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.449 HG21 HD13 ' A' ' 140' ' ' LEU . 94.9 mt -64.08 -43.11 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.242 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.95 -40.36 80.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.264 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.56 -43.03 87.39 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.18 -43.29 92.13 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.08 95.88 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.6 t -62.26 -42.54 99.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.555 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -62.72 -41.58 99.22 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.648 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.56 -41.51 98.96 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.42 83.82 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.417 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -62.37 -40.18 95.6 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.298 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -61.88 -41.83 98.34 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.617 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -90.52 -2.92 57.91 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.326 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.9 mttt 51.99 29.54 6.33 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 111.338 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -68.85 -37.6 79.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.11 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 t 72.04 -5.89 1.63 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.499 0.32 . . . . 0.0 111.675 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.4 m -127.77 128.13 44.79 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.515 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 84.4 mt -84.51 135.23 25.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.2 p -132.39 174.47 10.21 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.88 0.738 . . . . 0.0 111.476 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.1 t -56.62 -37.72 71.11 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.034 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -60.15 -43.18 95.96 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.244 0.34 . . . . 0.0 111.117 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.515 ' OE2' ' HA ' ' A' ' 65' ' ' ILE . 97.6 mt-10 -62.22 -39.14 91.8 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.41 0.444 . . . . 0.0 110.776 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 74' ' ' VAL . 32.8 mm -62.4 -42.88 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.218 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -61.56 -41.79 97.89 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.226 0.329 . . . . 0.0 111.093 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m -63.47 -45.96 88.42 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.19 0.306 . . . . 0.0 110.717 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.84 92.66 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.53 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 70' ' ' ILE . 79.6 t -64.89 -44.33 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.254 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.599 ' NH2' HG21 ' A' ' 87' ' ' VAL . 95.1 mtt-85 -63.14 -38.77 92.49 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.7 -33.31 53.19 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.3 mt -81.73 -37.1 27.82 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.8 mp -97.95 152.37 38.03 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.47 159.16 20.62 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.274 1.983 . . . . 0.0 111.522 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.38 -46.78 63.79 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.482 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -63.34 -47.54 81.74 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.776 0.288 . . . . 0.0 111.448 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.65 -37.28 87.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.23 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -59.0 -36.73 75.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.153 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -59.23 -45.58 90.77 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.254 0.346 . . . . 0.0 110.86 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -67.76 -38.76 83.89 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.371 0.42 . . . . 0.0 110.907 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.84 78.86 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.458 0.474 . . . . 0.0 110.838 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.599 HG21 ' NH2' ' A' ' 75' ' ' ARG . 91.1 t -62.64 -42.76 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 O-C-N 123.434 0.459 . . . . 0.0 109.805 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -63.33 -42.22 98.96 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 125.206 1.402 . . . . 0.0 110.645 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.61 -45.35 68.77 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.36 -40.88 79.83 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 87' ' ' VAL . 16.6 p -62.82 -45.93 90.33 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.432 0.158 . . . . 0.0 110.648 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.95 -37.6 88.02 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.614 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.37 90.88 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.243 0.339 . . . . 0.0 110.256 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 86.1 t -66.1 -43.97 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.9 m -59.49 -42.82 93.03 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.826 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -63.44 -39.04 93.41 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 109' ' ' ARG . 67.7 t80 -62.27 -46.35 89.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.072 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 m -69.75 -38.41 76.78 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.031 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.5 t -59.3 -33.35 70.98 Favored 'General case' 0 CA--C 1.496 -1.11 0 C-N-CA 126.069 1.748 . . . . 0.0 109.827 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -88.14 137.71 32.09 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.65 129.33 55.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.437 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 70.33 -64.33 0.37 Allowed 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.255 0.347 . . . . 0.0 110.659 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 54.42 -178.42 0.03 OUTLIER 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.447 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -102.15 -47.58 4.49 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.785 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . 0.61 HG23 ' H ' ' A' ' 108' ' ' SER . 4.3 t -137.78 161.26 37.04 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.268 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -65.37 -39.56 92.43 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 m -59.68 -42.43 92.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.61 ' H ' HG23 ' A' ' 105' ' ' THR . 70.3 m -64.18 -38.94 92.87 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.43 0.456 . . . . 0.0 110.939 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 97' ' ' TYR . 70.9 mtp180 -62.12 -34.72 76.87 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.393 0.433 . . . . 0.0 110.887 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.18 -31.42 20.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.229 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.65 29.65 57.42 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 141' ' ' ALA . 85.3 mt -104.85 134.98 47.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.559 0.219 . . . . 0.0 110.567 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -59.15 -44.44 92.08 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.297 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.23 143.91 95.06 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.465 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.537 ' O ' HG23 ' A' ' 119' ' ' VAL . 34.3 Cg_endo -66.63 103.23 0.67 Allowed 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.116 1.877 . . . . 0.0 111.727 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.506 HG11 HG22 ' A' ' 138' ' ' VAL . 89.6 t -61.77 -42.18 93.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.421 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.76 -43.88 96.17 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 44.2 mtm-85 -65.23 -35.96 82.67 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.558 0.179 . . . . 0.0 111.388 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 115' ' ' PRO . 90.9 t -58.77 -44.32 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -61.21 -43.91 98.12 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.373 0.42 . . . . 0.0 110.384 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.36 -38.21 87.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.07 -40.1 94.65 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.443 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.57 -43.44 98.85 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.306 0.379 . . . . 0.0 110.644 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.73 -41.48 95.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.902 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -62.86 -40.69 98.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.45 -9.53 24.87 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 23.6 m120 57.4 31.45 20.22 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.83 0.315 . . . . 0.0 111.503 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -66.72 -40.91 88.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.139 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.0 p -147.47 163.29 36.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.461 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.2 -38.43 87.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -128.49 149.59 50.52 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 94.3 t -124.89 137.51 57.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -86.61 174.98 47.01 Favored Glycine 0 N--CA 1.464 0.553 0 N-CA-C 111.529 -0.628 . . . . 0.0 111.529 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -89.74 -48.73 7.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.383 -0.409 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.57 -31.33 79.43 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.925 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.483 ' HB3' ' CD ' ' A' ' 137' ' ' PRO . . . -57.88 -61.17 7.89 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.868 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.483 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 19.6 Cg_endo -60.47 -30.52 90.96 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.838 1.692 . . . . 0.0 111.679 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 134' ' ' ALA . 96.8 t -65.75 -43.53 93.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 143' ' ' VAL . 11.4 t80 -65.44 -43.25 91.03 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.145 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.449 HD13 HG21 ' A' ' 49' ' ' ILE . 32.5 tp -62.27 -42.57 99.45 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.665 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.424 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -61.34 -38.88 88.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.038 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.26 87.18 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.486 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' VAL . . . . . 0.464 HG21 HG21 ' A' ' 74' ' ' VAL . 94.7 t -63.72 -44.56 98.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.409 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.403 HD22 HG13 ' A' ' 42' ' ' VAL . 84.2 mt -62.33 -40.78 97.48 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.401 0.438 . . . . 0.0 111.086 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.94 -43.61 94.87 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.398 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -61.63 -47.59 84.7 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.41 -41.38 98.64 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.8 m -61.52 -45.57 93.64 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 123.361 0.413 . . . . 0.0 110.955 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.9 86.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.862 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -63.89 -42.77 97.39 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.286 0.366 . . . . 0.0 111.385 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ILE . . . . . 0.432 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 92.5 mt -65.98 -43.44 92.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.296 0.372 . . . . 0.0 110.33 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . 0.45 HD22 HD13 ' A' ' 21' ' ' LEU . 86.4 mt -61.38 -40.68 95.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.14 -45.42 77.13 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.259 0.349 . . . . 0.0 110.424 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.14 -40.7 98.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.207 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.654 ' HB1' HG23 ' A' ' 167' ' ' ILE . . . -61.89 -37.28 84.0 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.372 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.89 95.59 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -63.8 -42.53 97.7 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.29 86.1 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 164' ' ' LYS . . . -65.62 -36.42 83.66 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.838 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.3 -43.75 96.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.696 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.55 -33.95 77.1 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.405 0.441 . . . . 0.0 110.386 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -92.84 11.47 27.01 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.641 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 55.63 66.4 1.22 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.225 0.536 . . . . 0.0 110.999 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.428 ' HB2' ' HB1' ' A' ' 159' ' ' ALA . 98.5 mttt -140.91 151.95 44.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.657 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 18.8 p -111.65 11.16 21.11 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.496 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -124.98 148.69 48.3 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.347 0.259 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ILE . . . . . 0.654 HG23 ' HB1' ' A' ' 155' ' ' ALA . 75.4 mt -106.08 112.73 40.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.402 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 23.1 pt -113.35 161.04 29.09 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.054 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 9.6 Cg_endo -47.92 -32.34 17.51 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 122.201 1.934 . . . . 0.0 112.117 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -62.33 -43.92 97.69 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.18 -43.03 79.05 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.62 -42.84 99.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.828 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.69 -40.39 92.29 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.378 0.424 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.96 -40.64 98.3 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.474 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.438 ' HA ' ' ND2' ' A' ' 178' ' ' ASN . . . -64.03 -43.64 94.95 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 123.597 0.561 . . . . 0.0 111.693 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.79 -42.8 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.17 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.59 -36.93 85.44 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 175' ' ' ALA . 20.1 p30 -77.19 -10.63 59.53 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -113.11 112.25 23.51 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.81 -34.4 74.47 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -64.59 -48.02 76.5 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.365 0.416 . . . . 0.0 110.77 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 68.7 mt -67.9 -37.59 81.92 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.523 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -59.86 -43.61 94.6 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.399 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -65.17 -42.66 93.47 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.868 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.05 -42.6 99.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 80.4 mt -102.06 22.1 13.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.97 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -57.06 -24.85 52.36 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -104.09 16.83 25.38 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 88.8 t -122.78 130.08 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 42.0 m -115.54 126.98 54.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.63 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 68.8 mt -112.14 127.25 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.902 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -144.22 143.14 30.91 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.527 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -66.53 129.01 38.43 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.168 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.803 0 CA-C-O 117.936 -1.48 . . . . 0.0 111.14 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -111.25 133.74 53.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.026 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.422 HD12 HD12 ' B' ' 67' ' ' LEU . 42.4 pt -134.23 154.81 38.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.001 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -110.23 140.15 44.67 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.58 126.24 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -113.81 152.51 30.55 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.117 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.0 p -121.43 161.97 21.26 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.308 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.06 -24.42 66.19 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 54.8 p -68.4 -19.76 64.63 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 119.562 -1.961 . . . . 0.0 111.172 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.19 11.18 37.3 Favored Glycine 0 C--N 1.354 1.556 0 O-C-N 121.41 -0.806 . . . . 0.0 112.65 -172.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -88.88 152.01 22.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 117.158 0.479 . . . . 0.0 110.195 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 19.3 m -136.73 127.96 28.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.425 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.567 HD12 ' CD ' ' B' ' 33' ' ' LYS . 45.8 pt -127.09 134.18 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -88.2 127.0 35.43 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.753 0.787 . . . . 0.0 110.447 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 tp -123.26 141.85 51.55 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.663 0.785 . . . . 0.0 110.807 -174.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -109.81 114.88 28.81 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.082 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -137.08 169.41 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.977 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -116.03 154.56 48.46 Favored Pre-proline 0 CA--C 1.541 0.625 0 O-C-N 123.279 0.362 . . . . 0.0 110.64 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -54.38 -32.93 74.74 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.282 1.988 . . . . 0.0 112.436 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -81.45 -12.46 58.89 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.39 140.22 54.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.567 0.222 . . . . 0.0 110.583 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 72.7 p -83.2 162.14 21.33 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.911 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.529 HG22 ' HE3' ' B' ' 27' ' ' LYS . 47.6 mm -65.2 -40.75 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.9 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -55.19 -41.64 72.2 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.66 -39.98 95.69 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.411 0.444 . . . . 0.0 110.001 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.0 -42.97 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.529 ' HE3' HG22 ' B' ' 23' ' ' ILE . 98.7 mttt -60.3 -39.95 88.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.685 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.2 86.2 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.42 -40.06 96.16 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.059 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.45 -41.98 93.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -56.53 -37.79 70.94 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.54 -34.58 78.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.909 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.567 ' CD ' HD12 ' B' ' 13' ' ' ILE . 98.5 mttt -78.65 -47.2 17.52 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -94.77 -40.2 9.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.463 1.905 . . . . 0.0 115.929 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.62 30.3 24.54 Favored Glycine 0 C--N 1.354 1.536 0 C-N-CA 126.177 1.846 . . . . 0.0 112.18 -168.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -96.07 140.94 22.5 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -54.75 117.77 4.36 Favored 'Trans proline' 0 N--CA 1.504 2.109 0 C-N-CA 122.212 1.941 . . . . 0.0 112.517 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -54.31 -41.32 77.4 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.362 2.041 . . . . 0.0 112.828 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.33 -30.11 70.93 Favored 'General case' 0 N--CA 1.436 -1.128 0 O-C-N 120.482 -1.387 . . . . 0.0 109.113 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -88.16 10.09 20.57 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.575 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.446 ' OE1' HD11 ' B' ' 69' ' ' LEU . 21.2 mm-40 -103.82 132.26 50.25 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-O 120.775 0.322 . . . . 0.0 111.553 -179.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.416 ' NE ' ' CZ ' ' C' ' 680' ' ' PHE . 37.5 mtt-85 -116.03 121.53 42.5 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.696 178.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.1 mt -105.99 134.72 48.66 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.75 HD11 HD12 ' C' ' 676' ' ' LEU . 95.8 mt -122.96 136.35 60.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.87 -178.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -124.11 128.25 49.01 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.82 22.37 8.5 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.52 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.52 15.55 70.86 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -112.17 135.82 52.36 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.012 0.406 . . . . 0.0 110.356 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -62.69 147.8 48.43 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 123.454 0.471 . . . . 0.0 110.077 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.41 HD23 ' CZ ' ' B' ' 59' ' ' TYR . 87.7 mt -114.36 135.15 54.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.035 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -91.36 145.77 24.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.164 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -66.04 -37.11 85.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.784 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.9 -8.29 86.63 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 113.326 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -92.74 164.97 13.17 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 117.246 0.523 . . . . 0.0 111.036 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 18.5 p -111.11 162.77 14.57 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.734 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.95 -40.75 96.64 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.589 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -59.3 -31.53 69.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.634 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -62.47 -32.6 73.51 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.081 0.238 . . . . 0.0 111.318 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.41 ' CZ ' HD23 ' B' ' 50' ' ' LEU . 59.7 m-85 -91.36 12.06 21.71 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.199 0.312 . . . . 0.0 111.785 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 m120 57.3 40.03 28.06 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.026 0.441 . . . . 0.0 111.282 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -83.14 129.48 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.9 -174.86 2.64 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -60.28 143.8 51.95 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.163 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 57.29 86.76 0.07 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.021 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 56.7 p -129.2 153.03 48.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.3 m -106.64 124.99 50.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.595 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.422 HD12 HD12 ' B' ' 3' ' ' ILE . 64.4 mt -123.34 125.01 44.23 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.957 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -89.23 151.65 22.03 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.554 0.534 . . . . 0.0 110.13 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.446 HD11 ' OE1' ' B' ' 41' ' ' GLN . 19.0 tp -110.94 129.48 55.87 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.157 0.504 . . . . 0.0 112.076 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.531 HG22 ' HB1' ' C' ' 673' ' ' ALA . 15.1 t -129.93 162.57 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.633 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.467 ' N ' HG12 ' B' ' 70' ' ' VAL . 11.1 tp -108.61 123.99 49.81 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.78 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -81.05 135.51 35.84 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.9 mt -127.81 -1.82 5.98 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.249 0.343 . . . . 0.0 111.857 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -62.28 -44.05 97.42 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.29 179.58 48.01 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.884 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -149.73 162.74 39.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.644 0.259 . . . . 0.0 110.49 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 95.8 mtp -65.36 -41.73 93.51 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.721 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 6.8 t0 62.03 82.09 0.22 Allowed Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.233 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.42 -16.3 43.12 Favored 'Trans proline' 0 N--CA 1.502 1.994 0 C-N-CA 122.196 1.931 . . . . 0.0 112.832 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.61 -42.53 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.27 -44.02 95.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.025 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -65.83 -40.74 92.07 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.144 0.278 . . . . 0.0 110.752 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.16 -40.69 90.73 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.11 -38.65 91.82 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.04 -43.85 98.28 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.257 0.348 . . . . 0.0 110.556 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -67.2 -43.25 82.56 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.395 0.435 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.7 -39.93 94.5 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.272 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.29 -41.25 98.34 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.302 0.376 . . . . 0.0 110.899 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.33 -42.44 99.38 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.366 0.416 . . . . 0.0 110.803 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -71.64 -39.59 70.29 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 666' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' C' ' 670' ' ' ARG . 43.5 tt0 -63.46 -47.3 82.37 Favored 'General case' 0 CA--C 1.516 -0.351 0 O-C-N 123.38 0.425 . . . . 0.0 109.99 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -61.89 -34.36 75.88 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 123.895 0.747 . . . . 0.0 110.743 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -60.67 -40.57 92.59 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -35.28 75.27 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.678 178.728 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 670' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' C' ' 666' ' ' GLU . 54.2 mtm180 -65.6 -40.19 92.37 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.309 0.381 . . . . 0.0 110.7 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.4 -46.29 73.67 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.269 0.356 . . . . 0.0 110.539 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.521 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -66.36 -42.06 88.6 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -62.6 -38.8 91.58 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.411 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 23.2 tp -62.45 -37.17 84.87 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.831 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.92 -42.99 99.98 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.412 0.445 . . . . 0.0 110.289 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.75 HD12 HD11 ' B' ' 44' ' ' ILE . 81.4 mt -63.25 -42.47 99.2 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -61.16 -42.55 98.76 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.224 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.9 -45.19 78.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.706 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 75.1 mtm -66.63 -43.4 84.79 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.407 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.416 ' CZ ' ' NE ' ' B' ' 42' ' ' ARG . 17.7 m-85 -64.03 -41.81 97.3 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.519 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.47 -35.04 79.71 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.494 0.497 . . . . 0.0 110.355 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -62.43 -41.09 98.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.632 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.43 -37.7 88.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.366 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -65.93 -46.36 78.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -131.61 136.27 47.63 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.676 0.61 . . . . 0.0 111.08 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 19.5 p -66.57 -39.12 88.33 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.685 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 41.4 t -88.48 126.17 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 6.4 m -84.71 132.24 34.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -139.96 148.82 42.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.325 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.08 133.5 50.88 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.439 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -61.13 -39.8 91.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.332 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -81.85 84.82 1.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 60.6 p -101.03 -37.77 8.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.631 0.253 . . . . 0.0 110.806 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 87.2 t -118.64 135.13 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.614 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -127.71 157.73 39.53 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.688 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 60.18 158.93 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.416 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.446 ' HB2' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -82.82 165.32 19.94 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.792 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 60.4 mt -80.47 131.86 35.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.833 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 35.0 mt -132.63 148.53 52.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -91.48 97.57 11.15 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.98 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.51 -49.93 0.03 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.696 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 21.1 p -73.2 155.05 39.98 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.75 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -112.61 137.05 51.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.621 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 91.3 mmm -96.54 136.83 36.51 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -147.75 151.59 36.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.608 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -97.94 150.4 19.43 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -103.59 29.22 5.87 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 76.9 tttt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.399 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.94 32.24 2.99 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.683 0.278 . . . . 0.0 110.821 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -66.44 -35.91 81.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.27 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.6 77.93 0.31 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -103.39 15.13 29.86 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.4 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.6 p -57.8 -41.61 82.48 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.731 0.301 . . . . 0.0 110.804 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.8 mt -67.06 -43.31 88.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.969 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 115' ' ' PRO . 96.3 m-85 -64.72 -43.89 91.96 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.02 -178.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.05 -36.29 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.15 -44.67 75.33 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.72 -42.04 96.5 Favored 'General case' 0 C--O 1.231 0.127 0 O-C-N 123.646 0.592 . . . . 0.0 109.838 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG22 ' OH ' ' C' ' 697' ' ' TYR . 50.1 t -60.54 -43.72 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HA ' HG12 ' A' ' 24' ' ' VAL . 34.2 tp -60.62 -37.37 81.22 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.792 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -65.56 -39.06 91.25 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -36.43 59.22 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.545 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.5 p -82.5 -30.52 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.703 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.06 90.92 0.23 Allowed Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.138 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -69.98 -27.18 25.72 Favored 'Trans proline' 0 N--CA 1.505 2.152 0 C-N-CA 122.401 2.067 . . . . 0.0 113.117 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.01 -44.22 85.42 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.318 0.386 . . . . 0.0 111.859 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.1 p -77.15 134.84 38.56 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.182 0.301 . . . . 0.0 110.69 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.85 176.11 21.91 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 tt -143.17 144.56 23.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.735 0.303 . . . . 0.0 110.257 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.5 p -73.1 152.57 41.15 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.239 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -59.87 -38.03 81.01 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 123.981 0.912 . . . . 0.0 109.548 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -66.1 -42.32 89.43 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 123.925 0.89 . . . . 0.0 110.628 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.43 91.01 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.018 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.3 tpp -63.98 -42.4 97.23 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.432 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.78 -39.05 96.94 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.57 -41.48 92.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 86.8 mmm -61.12 -38.56 86.81 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.042 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -60.35 -40.87 92.26 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.382 0.426 . . . . 0.0 109.98 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.0 t -63.5 -38.42 91.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.191 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.44 ' HE1' HD21 ' A' ' 186' ' ' LEU . 85.3 t80 -61.25 -44.16 97.71 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.805 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.94 -45.65 94.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.8 -40.47 95.28 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.409 0.443 . . . . 0.0 111.012 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.38 -43.66 93.79 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.363 0.415 . . . . 0.0 111.361 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.485 HG22 HD12 ' A' ' 49' ' ' ILE . 32.6 mm -63.4 -41.47 92.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.813 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -56.4 -45.08 80.79 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -64.21 -44.77 90.9 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.279 0.362 . . . . 0.0 111.882 -178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -63.71 -47.32 81.61 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.485 HD12 HG22 ' A' ' 45' ' ' ILE . 96.4 mt -65.63 -43.01 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 O-C-N 123.261 0.351 . . . . 0.0 110.13 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.05 98.65 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.279 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.52 -42.35 98.94 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -67.97 -40.74 83.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.67 93.48 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 123.453 0.471 . . . . 0.0 110.43 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.7 p -61.81 -44.56 96.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.271 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.6 mtm-85 -66.82 -41.63 87.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.464 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.52 -41.9 99.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.671 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.19 86.79 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.439 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -61.86 -41.21 97.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.273 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -62.14 -39.77 93.71 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.407 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -87.64 5.29 40.28 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 56.97 39.69 29.24 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.961 0.41 . . . . 0.0 111.552 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -103.98 113.95 27.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.379 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.8 m -73.25 -22.75 60.33 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.328 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -106.88 127.01 53.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.879 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.743 HG23 ' OE1' ' A' ' 69' ' ' GLU . 94.3 mt -79.53 135.51 25.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.0 p -133.02 172.04 13.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.019 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.1 p -61.22 -31.01 70.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.903 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -61.38 -47.17 87.06 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.743 ' OE1' HG23 ' A' ' 65' ' ' ILE . 5.7 pt-20 -66.35 -38.81 88.46 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.739 HD11 ' HB1' ' A' ' 136' ' ' ALA . 84.5 mt -65.34 -42.68 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.643 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -56.47 -42.81 78.86 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.36 0.413 . . . . 0.0 110.527 -178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.1 m -61.08 -45.25 95.52 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.409 0.443 . . . . 0.0 110.009 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.95 87.13 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.518 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 70' ' ' ILE . 72.8 t -61.93 -45.27 99.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.271 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.52 -38.51 91.39 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.32 0.388 . . . . 0.0 111.284 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.6 mt -73.98 -33.02 63.69 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.2 mt -82.76 -37.3 24.78 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 78' ' ' LEU . 7.5 mp -93.96 145.95 30.78 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -51.88 -179.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.339 2.026 . . . . 0.0 111.818 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.48 67.69 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 116.42 -0.355 . . . . 0.0 112.906 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -67.73 -40.17 84.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.712 0.256 . . . . 0.0 111.488 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.527 HD11 ' NH1' ' C' ' 700' ' ' ARG . 4.4 mm? -63.48 -40.98 98.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.144 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.52 -40.82 98.04 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.465 0.478 . . . . 0.0 111.915 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.9 -47.31 86.96 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.013 0.196 . . . . 0.0 111.462 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 79.3 m80 -70.71 -36.34 73.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.245 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.68 -36.85 79.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.2 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 83' ' ' ALA . 79.3 t -61.19 -44.04 97.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 123.331 0.395 . . . . 0.0 110.37 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.6 t -60.61 -40.31 91.36 Favored 'General case' 0 N--CA 1.423 -1.792 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.09 -50.1 51.27 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.541 1.136 . . . . 0.0 111.952 -175.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.36 -45.31 38.93 Favored Glycine 0 CA--C 1.526 0.733 0 O-C-N 123.443 0.465 . . . . 0.0 112.584 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.2 m -59.83 -48.61 81.01 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.254 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -65.43 -36.55 84.26 Favored 'General case' 0 N--CA 1.461 0.102 0 O-C-N 123.566 0.541 . . . . 0.0 111.187 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.39 88.85 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.236 0.335 . . . . 0.0 110.144 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.9 t -66.19 -45.23 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.5 m -61.88 -43.58 98.56 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -59.32 -38.7 80.93 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -59.3 -48.04 83.13 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.2 m -66.13 -39.72 90.09 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.441 0.463 . . . . 0.0 110.887 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.6 p -69.11 -15.56 63.46 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 120.775 -1.203 . . . . 0.0 110.536 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 t -61.21 -42.68 99.02 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 117.735 0.243 . . . . 0.0 110.82 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 69.09 -70.3 0.14 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.327 0.392 . . . . 0.0 110.331 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.2 t -118.49 132.04 56.24 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.852 0.358 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.73 ' HB3' ' HE ' ' A' ' 109' ' ' ARG . . . -169.71 150.66 4.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.323 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -103.17 -13.11 16.91 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.632 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 m -119.77 132.46 55.62 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -64.42 -43.11 95.37 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -63.19 -37.13 86.0 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.745 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.3 t -61.72 -39.61 92.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.73 ' HE ' ' HB3' ' A' ' 103' ' ' ALA . 93.6 mtt180 -61.27 -34.71 75.61 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.14 -31.83 20.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.472 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.78 26.76 62.02 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.44 140.82 36.96 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -42.93 96.69 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.247 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -62.57 136.86 96.23 Favored Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.666 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 27.5 Cg_exo -60.61 106.61 0.37 Allowed 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.267 1.978 . . . . 0.0 111.965 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.507 HG11 HG22 ' A' ' 138' ' ' VAL . 98.5 t -64.72 -42.21 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.084 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.84 -38.9 96.07 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -62.37 -41.54 98.7 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.92 -43.66 92.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -57.29 -45.35 84.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.49 -38.19 89.03 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 123.472 0.483 . . . . 0.0 111.248 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 45.3 mt -61.48 -41.95 98.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.466 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.32 -42.78 99.65 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.304 0.377 . . . . 0.0 111.036 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -68.06 -42.57 80.28 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.082 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.07 -37.9 89.11 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.724 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.77 -6.71 18.52 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 56.34 28.62 13.72 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.978 0.389 . . . . 0.0 111.643 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -66.63 -39.59 88.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.8 p -149.29 161.68 41.55 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.519 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.36 -36.88 84.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -132.3 146.86 52.29 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.445 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.3 t -125.97 135.02 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.407 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.81 177.23 52.3 Favored Glycine 0 N--CA 1.465 0.608 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -91.16 -34.81 14.88 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.979 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.18 -35.14 91.31 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.807 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -60.94 -59.84 12.57 Favored Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.882 -0.58 . . . . 0.0 110.597 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 34.2 Cg_exo -54.92 -39.86 88.37 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.86 1.706 . . . . 0.0 111.354 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.507 HG22 HG11 ' A' ' 116' ' ' VAL . 93.3 t -63.06 -45.41 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -61.94 -46.78 87.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.336 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 49' ' ' ILE . 32.9 tp -63.64 -40.18 96.23 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.67 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.58 85.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.79 -38.62 91.61 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.315 0.385 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.14 -43.7 92.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.205 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 47.4 mt -61.28 -41.42 96.92 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -64.76 -36.6 84.82 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.346 0.404 . . . . 0.0 110.397 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 68.6 t80 -60.62 -48.84 79.98 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.481 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 46.0 mt -64.39 -40.24 95.41 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.354 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 12.3 m -62.02 -44.93 95.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.23 97.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.962 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -68.44 -41.73 79.86 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.38 -44.35 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 O-C-N 123.283 0.365 . . . . 0.0 110.117 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.06 -40.97 99.28 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.359 0.412 . . . . 0.0 111.737 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -66.51 -45.87 78.11 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.659 0.266 . . . . 0.0 110.709 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.725 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 74.5 mt -64.6 -39.3 93.47 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.38 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ALA . . . . . 0.739 ' HB2' HD23 ' A' ' 172' ' ' LEU . . . -60.1 -38.32 82.6 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.19 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.52 96.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -62.68 -43.82 97.82 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.193 -0.203 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' ALA . . . . . 0.571 ' HB1' HD23 ' A' ' 174' ' ' LEU . . . -61.08 -41.73 97.19 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -61.33 -40.84 95.72 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.025 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -63.22 -39.68 95.31 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.418 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.46 -34.37 75.32 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -93.83 14.12 20.38 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.51 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 55.3 50.81 14.19 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.185 0.516 . . . . 0.0 111.288 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.537 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 98.7 mttt -138.39 124.47 20.19 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.798 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 68.2 p -73.49 -35.1 65.61 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.907 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -77.83 149.41 34.38 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.124 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 64.5 mt -104.03 131.42 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.344 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.409 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 31.3 pt -129.86 166.65 24.67 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.218 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 75.4 Cg_exo -50.66 -35.56 47.66 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.272 1.982 . . . . 0.0 112.112 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.7 ttm-85 -61.53 -41.51 97.44 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -66.69 -42.1 87.0 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.292 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.739 HD23 ' HB2' ' A' ' 155' ' ' ALA . 57.6 mt -61.7 -44.4 97.01 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -67.3 -36.27 81.16 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.357 0.411 . . . . 0.0 110.721 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.571 HD23 ' HB1' ' A' ' 158' ' ' ALA . 13.6 tp -61.94 -44.8 96.02 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -67.02 -41.51 86.5 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.312 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.414 HD13 HD13 ' A' ' 186' ' ' LEU . 97.3 mt -63.68 -44.08 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.333 -179.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -65.83 -35.06 79.62 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.362 0.414 . . . . 0.0 111.374 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -77.26 -17.39 58.44 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.146 0.279 . . . . 0.0 111.541 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -103.0 113.54 27.09 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -62.44 -36.38 82.22 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.533 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.25 -49.02 71.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.62 -39.46 93.75 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.303 0.377 . . . . 0.0 110.218 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.76 -38.64 85.91 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 123.623 0.577 . . . . 0.0 109.713 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.79 -45.83 92.19 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.065 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.26 -40.67 81.83 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.44 HD21 ' HE1' ' A' ' 41' ' ' PHE . 75.3 mt -92.89 20.4 6.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.129 -178.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.0 -34.28 71.88 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -96.21 8.42 43.91 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 59.2 t -127.53 130.2 70.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.2 m -124.34 127.56 47.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.712 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 60.4 mt -111.63 70.66 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.918 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -122.63 151.53 41.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -116.79 130.07 56.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.138 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.82 0 CA-C-O 117.994 -1.448 . . . . 0.0 111.011 -179.875 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -101.36 133.02 46.6 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.789 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.46 HD12 HD12 ' B' ' 67' ' ' LEU . 40.8 pt -131.34 161.67 40.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.992 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -112.52 143.33 43.85 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.914 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.8 t -120.06 127.41 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -112.7 152.19 29.33 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.373 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 49.9 p -123.03 162.73 21.81 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.343 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.61 -21.06 66.16 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.343 0.402 . . . . 0.0 110.952 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 48.2 p -71.46 -24.28 61.98 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 120.091 -1.631 . . . . 0.0 111.555 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.82 13.02 24.8 Favored Glycine 0 C--N 1.358 1.767 0 O-C-N 121.08 -1.013 . . . . 0.0 112.529 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -91.4 150.9 21.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.131 0.466 . . . . 0.0 110.16 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.2 m -132.02 127.72 36.8 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.478 HD12 ' CD ' ' B' ' 33' ' ' LYS . 48.5 pt -126.72 137.64 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.212 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -87.79 129.54 35.15 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.1 tp -126.6 139.0 53.52 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.572 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -108.49 115.79 30.77 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.259 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.8 m -139.58 162.25 26.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.155 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.81 148.88 35.39 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 123.208 0.318 . . . . 0.0 110.64 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.85 -36.09 81.75 Favored 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.424 2.083 . . . . 0.0 112.329 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -81.37 -11.41 59.3 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.263 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.22 144.83 56.59 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.581 0.229 . . . . 0.0 110.612 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.4 p -81.98 159.94 23.43 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.109 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.8 mm -65.52 -42.28 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.672 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -55.99 -38.44 70.43 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.33 0.394 . . . . 0.0 110.284 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.418 HD21 ' HA ' ' B' ' 25' ' ' ASN . 4.2 m120 -64.09 -40.3 95.94 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.227 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.36 -43.1 96.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.782 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.9 -38.7 79.5 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.58 97.79 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.299 0.375 . . . . 0.0 110.294 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.13 -40.26 95.79 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.797 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.473 HG22 HE22 ' B' ' 41' ' ' GLN . 88.2 mt -63.5 -41.19 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -54.21 -38.49 65.73 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -65.78 -39.38 90.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.936 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.478 ' CD ' HD12 ' B' ' 13' ' ' ILE . 67.9 mttm -77.43 -45.25 26.4 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -89.08 -40.07 13.2 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.725 1.61 . . . . 0.0 114.27 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.03 23.43 52.19 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 124.631 1.11 . . . . 0.0 111.813 -171.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.0 mt -98.44 139.47 21.19 Favored Pre-proline 0 CA--C 1.547 0.864 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.069 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.87 124.4 16.17 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.032 1.821 . . . . 0.0 112.123 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -54.07 -36.08 83.62 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.4 2.067 . . . . 0.0 112.576 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -65.09 -37.49 87.67 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -86.27 10.79 13.73 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 122.241 -0.287 . . . . 0.0 111.479 -173.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.473 HE22 HG22 ' B' ' 30' ' ' ILE . 81.9 mt-30 -110.15 136.18 49.78 Favored 'General case' 0 C--N 1.345 0.4 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -114.19 120.65 41.21 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -103.95 136.22 44.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.554 HD11 HD12 ' C' ' 676' ' ' LEU . 93.4 mt -130.41 138.09 54.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 123.494 0.496 . . . . 0.0 110.652 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -123.59 126.78 47.27 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.92 26.68 10.08 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.598 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.31 14.6 76.19 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 112.374 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.403 ' C ' HG23 ' B' ' 44' ' ' ILE . 52.9 mtmt -114.06 135.2 54.28 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.055 0.427 . . . . 0.0 109.924 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -62.94 151.57 39.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 O-C-N 123.427 0.454 . . . . 0.0 110.356 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.4 mt -118.21 128.2 54.47 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.711 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -85.23 142.16 29.61 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.224 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.49 -42.36 99.43 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.596 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.76 -13.97 72.35 Favored Glycine 0 CA--C 1.533 1.159 0 O-C-N 123.543 0.527 . . . . 0.0 113.053 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -90.37 157.04 17.82 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 117.106 0.453 . . . . 0.0 110.821 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.2 p -103.44 167.34 9.87 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.463 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.36 -40.69 97.24 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.254 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.0 p -57.76 -29.32 64.71 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.584 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.53 -34.32 75.33 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.181 0.301 . . . . 0.0 111.267 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -92.04 11.28 25.83 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 57.91 35.46 25.37 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 120.975 0.417 . . . . 0.0 111.166 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.0 mt -74.88 130.77 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -108.28 -179.58 3.92 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.948 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -56.55 141.27 43.63 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.741 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 58.09 82.93 0.12 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.301 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.4 m -125.56 152.78 44.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.119 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -105.65 121.93 45.01 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.46 HD12 HD12 ' B' ' 3' ' ' ILE . 72.8 mt -114.05 123.81 50.59 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -84.73 144.2 28.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.905 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.9 tp -110.27 126.38 54.11 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.24 0.543 . . . . 0.0 111.725 -177.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.631 ' CG2' ' HB1' ' C' ' 673' ' ' ALA . 16.4 t -131.82 164.73 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.444 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.483 ' N ' HG12 ' B' ' 70' ' ' VAL . 16.9 tp -97.73 117.4 31.94 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -85.87 130.5 34.53 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' C' ' 680' ' ' PHE . 71.4 mt -115.86 108.12 15.88 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.961 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -140.31 158.78 43.5 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.756 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.68 142.59 38.77 Favored Glycine 0 C--N 1.337 0.598 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -59.42 -42.02 90.87 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.639 0.257 . . . . 0.0 110.794 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 96.3 mmm -82.17 143.2 31.58 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.741 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -90.63 -59.82 0.23 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.91 -30.17 83.39 Favored 'Trans proline' 0 N--CA 1.507 2.291 0 C-N-CA 122.364 2.043 . . . . 0.0 113.003 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.405 HG12 ' CE ' ' C' ' 659' ' ' MET . 55.2 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.466 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 50.9 mt -61.12 -43.5 98.78 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.255 0.347 . . . . 0.0 110.745 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -64.53 -40.6 95.9 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.196 0.31 . . . . 0.0 110.747 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.97 -38.5 82.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.466 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 73.6 mtm -65.41 -37.51 87.17 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.411 0.444 . . . . 0.0 110.89 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.83 -44.54 95.86 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.142 0.276 . . . . 0.0 110.635 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.66 -44.69 85.52 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.415 0.447 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.57 -39.63 91.87 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.86 -38.71 91.89 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.32 0.387 . . . . 0.0 110.995 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.74 -43.3 96.91 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.289 0.368 . . . . 0.0 110.955 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -72.86 -41.2 65.02 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.41 -46.03 85.02 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.336 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -66.17 -34.53 78.25 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 123.454 0.471 . . . . 0.0 110.979 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -59.73 -46.3 89.55 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.57 -34.54 76.0 Favored 'General case' 0 C--O 1.227 -0.132 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.46 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -65.6 -38.55 89.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.312 0.383 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -64.13 -46.99 81.68 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.345 0.403 . . . . 0.0 110.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.497 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.3 tm? -67.23 -41.52 85.53 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.631 ' HB1' ' CG2' ' B' ' 70' ' ' VAL . . . -62.57 -38.68 91.03 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.826 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.16 -39.93 91.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.945 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -62.38 -43.57 98.52 Favored 'General case' 0 C--O 1.231 0.097 0 O-C-N 123.377 0.423 . . . . 0.0 110.306 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.554 HD12 HD11 ' B' ' 44' ' ' ILE . 63.6 mt -66.86 -42.79 85.1 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -60.48 -42.61 96.61 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.925 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -70.77 -43.12 69.42 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.538 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 67.2 mtm -65.19 -43.37 91.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.295 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.533 ' HB3' HD12 ' B' ' 73' ' ' LEU . 17.2 m-85 -62.2 -42.16 99.03 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.506 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.1 -35.07 79.0 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 123.499 0.5 . . . . 0.0 110.495 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -63.82 -38.11 89.89 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.295 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.63 -23.41 66.02 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.543 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' C' ' 685' ' ' ARG . 50.5 mmm-85 -54.38 -53.83 48.67 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.699 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 685' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' C' ' 684' ' ' ARG . 55.0 ttt85 162.4 -33.75 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.023 0 C-N-CA 123.672 0.789 . . . . 0.0 110.847 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 1.1 m 72.34 52.6 0.18 Allowed 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.067 0.461 . . . . 0.0 110.192 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.58 -45.78 94.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.938 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 73.9 m -138.79 163.01 33.34 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.384 0.428 . . . . 0.0 111.02 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -64.34 156.89 27.69 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.456 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -90.9 58.53 3.84 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.773 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -62.38 -44.79 95.63 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.076 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 75.01 -179.22 45.37 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 35.3 t -155.26 154.62 32.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.571 0.224 . . . . 0.0 110.664 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 35.1 m -114.15 37.05 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.418 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -95.27 107.87 20.0 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -85.32 -67.33 0.81 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.218 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.473 ' OH ' HG22 ' A' ' 20' ' ' VAL . 30.3 m-85 -143.05 143.41 31.86 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.162 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.24 147.87 46.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.104 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 75.7 mt -138.81 132.77 31.12 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.431 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 700' ' ' ARG . . . . . 0.527 ' NH1' HD11 ' A' ' 82' ' ' LEU . 94.0 mtm-85 -65.34 -34.56 78.61 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.772 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 47.3 t -59.58 -43.55 93.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.893 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 32.7 t -142.31 135.17 28.44 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -89.51 121.73 32.01 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.633 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 95.6 mmm -62.03 -42.04 98.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.591 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -67.88 142.36 56.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 73.44 31.27 61.19 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -124.66 143.16 50.89 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.627 0.251 . . . . 0.0 110.485 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.466 179.765 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.17 170.13 17.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.587 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' OE1' HD13 ' A' ' 122' ' ' LEU . 92.5 mt-10 -63.46 131.41 48.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.87 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.8 t -111.62 94.25 4.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.455 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -103.99 18.38 22.14 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.596 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 17' ' ' VAL . 78.3 p -58.41 -41.83 85.84 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.2 mm -69.39 -42.31 81.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.83 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -63.8 -43.27 96.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.032 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 14' ' ' SER . 11.5 p -62.56 -36.05 73.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -57.23 -42.88 82.24 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.69 -41.39 95.07 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.766 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG13 ' CE2' ' C' ' 697' ' ' TYR . 94.2 t -60.96 -43.51 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HA ' HG12 ' A' ' 24' ' ' VAL . 32.0 tp -60.25 -37.61 80.94 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.934 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -63.63 -37.48 87.49 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.811 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.43 -35.38 30.72 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.4 p -78.2 -36.18 20.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.662 -178.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -169.59 90.49 0.56 Allowed Pre-proline 0 CA--C 1.547 0.847 0 O-C-N 123.417 0.448 . . . . 0.0 110.265 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -53.68 -37.6 83.96 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 C-N-CA 122.481 2.121 . . . . 0.0 112.838 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.34 -41.88 98.94 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.428 0.455 . . . . 0.0 111.771 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' HD21 ' A' ' 21' ' ' LEU . 71.9 p -73.94 134.72 43.18 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.32 0.388 . . . . 0.0 110.802 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.09 171.66 14.29 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 tt -138.37 140.68 39.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.224 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.7 p -85.93 161.49 19.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.369 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.5 m -62.1 -35.89 80.06 Favored 'General case' 0 CA--C 1.496 -1.097 0 C-N-CA 123.737 0.815 . . . . 0.0 109.725 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -67.34 -39.26 85.76 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 123.29 0.636 . . . . 0.0 110.343 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.21 79.64 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.504 0.503 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.0 mtt -62.27 -41.86 98.83 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.401 0.438 . . . . 0.0 109.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.78 -39.77 97.22 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.44 -44.92 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.483 ' CE ' HG23 ' A' ' 148' ' ' THR . 97.3 mmm -64.4 -39.58 94.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.081 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -62.89 -43.23 99.36 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.28 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -61.79 -42.14 98.62 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.364 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 186' ' ' LEU . 85.7 t80 -62.26 -42.77 99.62 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.932 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 38' ' ' MET . 71.6 t -62.11 -43.54 97.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.772 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -61.93 -42.79 99.5 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.037 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -65.23 -45.27 85.33 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.383 0.427 . . . . 0.0 111.48 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.05 -41.84 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.907 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.482 ' CD2' HD21 ' A' ' 140' ' ' LEU . 69.6 t80 -56.32 -46.36 79.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -65.41 -42.79 92.16 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.288 0.368 . . . . 0.0 111.885 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -63.62 -44.35 94.2 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.277 0.361 . . . . 0.0 111.562 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.431 HG21 ' CD1' ' A' ' 140' ' ' LEU . 89.4 mt -65.36 -43.68 94.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 O-C-N 123.282 0.364 . . . . 0.0 110.128 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.86 98.15 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.248 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.48 -43.53 86.45 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 37.5 tp10 -67.59 -40.66 84.81 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 110.483 -0.192 . . . . 0.0 110.483 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.76 89.5 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 123.474 0.484 . . . . 0.0 110.476 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.9 p -60.48 -42.78 96.96 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.574 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -60.59 -40.21 90.95 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.353 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD12 ' HB2' ' A' ' 73' ' ' ALA . 62.8 mt -62.97 -37.72 88.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.54 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.661 ' HB2' ' OE1' ' A' ' 69' ' ' GLU . . . -61.58 -40.52 95.04 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.321 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -62.6 -43.0 99.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -66.83 -38.94 87.4 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -89.89 6.13 43.27 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 54.82 29.2 11.49 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.875 0.369 . . . . 0.0 111.337 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.492 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 80.0 mtp85 -92.45 132.21 36.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.414 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 m -97.84 -7.19 30.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.938 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.0 m -123.85 128.63 49.78 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.662 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.526 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 97.5 mt -80.21 136.31 23.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.558 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 82.5 p -136.02 176.57 8.57 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.895 0.747 . . . . 0.0 111.535 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.3 p -59.45 -44.88 92.88 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.876 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -62.69 -38.24 89.61 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.175 0.297 . . . . 0.0 110.891 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.661 ' OE1' ' HB2' ' A' ' 57' ' ' ALA . 43.6 tt0 -65.12 -46.89 79.13 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.114 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.3 mt -64.48 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.589 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -54.15 -42.71 69.87 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.218 0.324 . . . . 0.0 110.808 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.4 m -64.2 -47.08 81.11 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.336 0.397 . . . . 0.0 110.763 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 52' ' ' GLU . . . -65.6 -39.29 91.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.045 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.43 -43.14 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.369 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -59.93 -39.33 85.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 123.252 0.345 . . . . 0.0 111.261 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.7 mt -74.16 -33.09 63.39 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.0 mt -82.19 -37.71 25.69 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD21 HD21 ' A' ' 147' ' ' LEU . 0.4 OUTLIER -87.87 150.34 47.71 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.253 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.72 163.82 17.66 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.351 2.034 . . . . 0.0 111.289 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.85 -46.59 93.34 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.983 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -65.49 -48.03 74.0 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 HH11 ' C' ' 700' ' ' ARG . 4.4 mm? -67.08 -38.84 86.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.629 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.37 -37.97 85.3 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -179.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.18 -48.47 80.2 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.166 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 78.1 m80 -71.53 -37.28 71.18 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 123.267 0.354 . . . . 0.0 111.406 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.41 79.81 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.299 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 83' ' ' ALA . 68.9 t -61.89 -42.76 95.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 123.332 0.395 . . . . 0.0 110.334 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t -56.48 -44.15 80.35 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 124.564 1.146 . . . . 0.0 108.946 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 17.0 mt-10 -70.96 -46.55 62.18 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.077 1.351 . . . . 0.0 111.744 -174.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.64 -43.23 68.89 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.016 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 m -63.88 -47.66 79.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.442 0.163 . . . . 0.0 110.839 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.77 -36.56 82.7 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.155 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.99 83.69 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 82.6 t -69.19 -41.99 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.9 m -61.27 -40.87 95.7 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -59.23 -37.54 77.79 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.287 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -59.81 -48.25 82.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.4 m -68.49 -36.81 79.46 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.6 t -54.51 -33.97 60.85 Favored 'General case' 0 CA--C 1.492 -1.268 0 C-N-CA 125.391 1.476 . . . . 0.0 108.872 -176.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -87.74 117.76 26.79 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.995 0.918 . . . . 0.0 110.903 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.54 83.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.569 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.0 t -149.82 145.34 26.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.486 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HB3' ' CG ' ' A' ' 109' ' ' ARG . . . -148.41 -176.06 5.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.457 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -99.89 -45.15 5.8 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.8 p -127.96 163.12 25.19 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -66.28 -39.59 89.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.298 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.2 m -61.4 -42.07 98.13 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.9 p -63.4 -36.68 84.53 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.443 ' CG ' ' HB3' ' A' ' 103' ' ' ALA . 95.5 mtt-85 -61.61 -36.47 80.8 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.413 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -81.8 -56.95 3.66 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.24 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 109.57 25.47 5.46 Favored Glycine 0 CA--C 1.535 1.282 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 112' ' ' LEU . 8.3 mp -105.89 138.99 41.14 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.556 0.217 . . . . 0.0 110.696 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.97 -41.08 95.77 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -62.82 132.25 94.74 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.675 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.3 105.2 0.16 Allowed 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.161 1.907 . . . . 0.0 112.236 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.456 HG11 HG22 ' A' ' 138' ' ' VAL . 95.4 t -65.84 -42.79 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.353 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.57 -40.88 79.98 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.15 -36.85 85.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.346 0.117 . . . . 0.0 111.063 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.72 -44.37 98.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.966 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -60.1 -46.43 89.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.778 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -66.95 -38.49 86.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.043 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 11' ' ' GLU . 27.0 mt -62.57 -40.52 97.1 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.2 -44.62 97.0 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.364 0.415 . . . . 0.0 110.531 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -65.5 -38.91 91.08 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.717 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.32 -41.21 98.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.282 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.74 -6.6 30.81 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 121.358 -0.448 . . . . 0.0 112.002 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 56.2 28.78 13.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.85 0.325 . . . . 0.0 111.465 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -64.41 -40.23 95.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.217 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.6 p -145.98 159.19 43.6 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.559 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -65.67 -36.17 82.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.734 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -131.2 150.31 52.2 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.987 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.1 t -127.73 133.17 68.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -85.49 -178.49 50.51 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -94.95 -37.64 11.07 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.463 -0.368 . . . . 0.0 110.771 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.74 -19.3 73.1 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.861 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -75.33 -58.6 1.45 Allowed Pre-proline 0 CA--C 1.54 0.586 0 CA-C-O 118.914 -0.565 . . . . 0.0 109.996 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 33.7 Cg_exo -55.2 -38.12 93.84 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 121.755 1.637 . . . . 0.0 111.037 178.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.456 HG22 HG11 ' A' ' 116' ' ' VAL . 95.0 t -64.31 -47.47 89.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -61.37 -44.46 97.13 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.866 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 46' ' ' PHE . 47.4 tp -62.73 -42.17 99.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.302 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 112' ' ' LEU . . . -61.43 -36.2 79.71 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -66.43 -40.47 89.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.019 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 92.4 t -62.47 -46.21 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.983 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.71 -38.94 93.0 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -60.25 -45.69 92.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.329 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 66.2 t80 -61.12 -45.83 93.08 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.415 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.406 HD21 HD21 ' A' ' 78' ' ' LEU . 69.4 mt -62.0 -43.5 98.7 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.409 0.443 . . . . 0.0 110.839 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' THR . . . . . 0.483 HG23 ' CE ' ' A' ' 38' ' ' MET . 9.3 m -63.27 -44.97 93.59 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.442 0.464 . . . . 0.0 110.628 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.3 95.41 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.549 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -66.83 -42.72 85.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.556 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.17 -42.59 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.0 mt -62.36 -41.2 98.43 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.449 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -46.19 79.04 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.125 0.266 . . . . 0.0 110.544 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.55 -39.01 91.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.397 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.73 -38.15 89.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.383 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.96 -40.56 99.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -61.92 -44.23 97.2 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.771 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.48 90.63 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.106 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.56 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.241 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -62.11 -37.6 85.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.197 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -64.69 -21.83 66.83 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -102.48 13.92 33.3 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.526 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 55.52 39.99 31.11 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.975 0.417 . . . . 0.0 111.186 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -133.63 138.11 45.76 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.736 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 16.5 p -90.17 -29.2 18.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.234 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -81.36 136.57 35.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.535 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 70.7 mt -89.1 130.06 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 22.4 pt -123.91 164.92 26.27 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.007 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.82 -35.88 50.2 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.259 1.973 . . . . 0.0 112.125 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.4 -42.3 98.51 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -65.25 -40.93 94.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.734 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.47 -42.49 98.85 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -64.14 -43.21 95.92 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.315 0.385 . . . . 0.0 110.44 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.75 -41.52 99.24 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.33 97.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.621 HD13 HD13 ' A' ' 186' ' ' LEU . 93.9 mt -64.46 -44.5 97.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 123.314 0.384 . . . . 0.0 110.253 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -70.26 -29.19 65.91 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.429 0.456 . . . . 0.0 111.49 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -76.78 -16.77 59.37 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.151 0.282 . . . . 0.0 111.508 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -110.24 115.58 29.95 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -61.56 -39.93 92.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.491 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' GLU . . . . . 0.453 ' HB3' HD23 ' A' ' 82' ' ' LEU . 53.7 mp0 -62.16 -47.51 84.2 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 123.322 0.389 . . . . 0.0 111.448 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 25.0 mt -63.83 -37.23 86.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.401 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -59.06 -38.88 80.44 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.201 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -62.52 -45.35 93.4 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.27 0.356 . . . . 0.0 110.232 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 33.0 tp -66.87 -39.48 87.53 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 123.489 0.493 . . . . 0.0 110.519 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.621 HD13 HD13 ' A' ' 176' ' ' ILE . 65.1 mt -97.23 19.07 13.66 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.91 -36.67 88.73 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 -100.37 11.84 38.52 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 64.7 t -126.46 131.12 71.7 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 47.8 m -122.52 131.41 53.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.461 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.67 131.11 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -54.57 -46.68 73.75 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.529 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -112.35 127.48 56.01 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.982 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.971 -1.46 . . . . 0.0 111.211 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.415 ' HG3' ' HA ' ' B' ' 63' ' ' LYS . 27.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -116.38 139.79 50.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.309 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.54 HD12 HD12 ' B' ' 67' ' ' LEU . 42.1 pt -134.38 159.89 41.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.953 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -113.03 140.45 47.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.97 127.99 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -113.61 150.66 32.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.289 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 78.4 p -116.46 164.36 14.68 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.719 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.42 -23.57 64.65 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.8 p -70.51 -23.2 62.61 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 121.042 -1.036 . . . . 0.0 111.527 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.31 15.04 20.67 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 113.209 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -92.48 130.17 38.21 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 117.167 0.483 . . . . 0.0 110.227 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.3 m -114.56 124.12 51.07 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.924 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.552 HD12 ' CD ' ' B' ' 33' ' ' LYS . 45.1 pt -127.55 133.88 66.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.815 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -88.65 133.6 34.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 121.505 0.669 . . . . 0.0 109.332 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.493 HD11 ' HD3' ' B' ' 29' ' ' LYS . 13.1 tp -130.66 132.82 45.65 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.38 0.672 . . . . 0.0 110.554 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -107.41 114.65 28.81 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.432 0.457 . . . . 0.0 110.113 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.1 m -140.48 164.83 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.191 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -97.92 156.76 35.6 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.242 0.338 . . . . 0.0 110.311 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.89 -25.97 74.41 Favored 'Trans proline' 0 N--CA 1.502 1.971 0 C-N-CA 122.326 2.017 . . . . 0.0 112.365 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.3 m -85.12 -8.94 58.41 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.142 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -67.66 143.9 55.76 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.575 0.226 . . . . 0.0 110.587 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.6 p -81.46 158.25 24.62 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.935 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mm -65.24 -41.63 92.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.864 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.3 -41.22 72.04 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.276 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -63.47 -39.77 95.34 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.34 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 65.5 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.477 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.7 -35.34 74.29 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.73 89.37 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.493 ' HD3' HD11 ' B' ' 15' ' ' LEU . 85.4 mttt -63.61 -37.98 89.4 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.4 HG22 HE22 ' B' ' 41' ' ' GLN . 43.8 mm -62.47 -42.8 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.636 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -55.44 -38.36 68.92 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.38 -42.11 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.389 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.552 ' CD ' HD12 ' B' ' 13' ' ' ILE . 98.4 mttt -78.6 -43.7 25.78 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -86.87 -39.72 15.56 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 125.891 1.677 . . . . 0.0 113.862 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.81 23.71 41.1 Favored Glycine 0 C--N 1.351 1.384 0 C-N-CA 124.49 1.043 . . . . 0.0 111.853 -170.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.0 mt -104.92 137.13 19.12 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.05 135.3 58.05 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 121.972 1.781 . . . . 0.0 112.222 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.38 -25.68 74.24 Favored 'Trans proline' 0 N--CA 1.504 2.096 0 C-N-CA 122.257 1.971 . . . . 0.0 112.614 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -64.99 -34.26 78.01 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-O 122.714 1.245 . . . . 0.0 108.399 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -97.27 12.23 33.71 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.584 -1.947 . . . . 0.0 111.522 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.4 HE22 HG22 ' B' ' 30' ' ' ILE . 81.2 mt-30 -116.69 131.04 57.05 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -113.35 128.43 56.46 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 76.1 mt -105.1 140.79 37.75 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.574 HD11 HD12 ' C' ' 676' ' ' LEU . 97.8 mt -132.0 141.59 45.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.5 -178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -121.83 123.19 41.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.043 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.74 29.73 10.02 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.804 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.74 15.32 75.82 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 116.493 -0.321 . . . . 0.0 112.317 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.446 ' O ' HG23 ' B' ' 44' ' ' ILE . 57.5 mtmt -109.67 134.15 52.3 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 117.059 0.43 . . . . 0.0 110.195 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.18 139.93 58.46 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -110.13 125.68 53.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -80.87 136.73 36.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.044 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -63.91 -39.42 94.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.779 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.56 -10.72 84.68 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.994 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -95.16 160.49 14.53 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 117.212 0.506 . . . . 0.0 110.786 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -101.05 169.71 8.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.594 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.77 -40.27 94.59 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.413 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -58.43 -32.35 68.61 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.663 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -62.21 -34.29 76.19 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.037 0.21 . . . . 0.0 111.064 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -91.61 13.89 16.65 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.271 0.357 . . . . 0.0 111.9 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 59.38 43.72 16.14 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.006 0.431 . . . . 0.0 111.221 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.71 129.55 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -117.57 -171.51 2.06 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.892 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . 0.415 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 56.4 mtmt -55.41 145.2 23.1 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 55.91 83.21 0.1 Allowed 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.492 0.495 . . . . 0.0 110.46 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.3 m -129.56 152.32 49.21 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.273 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.3 m -109.7 121.16 44.58 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.257 0.348 . . . . 0.0 110.529 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.54 HD12 HD12 ' B' ' 3' ' ' ILE . 65.2 mt -115.35 132.24 56.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.171 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -91.99 152.43 20.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.943 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 tp -110.61 130.65 55.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.18 0.514 . . . . 0.0 111.784 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.73 HG22 ' HB1' ' C' ' 673' ' ' ALA . 16.2 t -137.07 165.42 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.609 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.491 ' N ' HG12 ' B' ' 70' ' ' VAL . 2.2 mp -107.21 119.09 38.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.666 0.27 . . . . 0.0 111.188 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -85.22 134.33 34.15 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' C' ' 680' ' ' PHE . 64.8 mt -122.24 64.43 0.94 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.04 0.447 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -64.77 -42.93 94.72 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.82 -43.3 0.87 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.623 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.894 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -116.53 142.44 46.88 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.667 0.27 . . . . 0.0 110.585 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.61 -39.76 91.89 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.34 117.08 8.52 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.87 -18.86 47.07 Favored 'Trans proline' 0 N--CA 1.504 2.125 0 C-N-CA 122.33 2.02 . . . . 0.0 112.877 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.431 HG12 ' CE ' ' C' ' 659' ' ' MET . 48.8 t -63.49 -41.15 91.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.486 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 30.9 mt -60.23 -43.66 95.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.926 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -63.38 -41.83 98.81 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.386 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.54 -37.81 85.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.608 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.486 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 72.3 mtm -67.1 -35.48 79.87 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 123.443 0.465 . . . . 0.0 110.677 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.29 -45.79 92.99 Favored 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.222 0.326 . . . . 0.0 110.728 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -63.81 -44.81 92.17 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 123.352 0.408 . . . . 0.0 110.945 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.33 -38.07 89.03 Favored 'General case' 0 C--N 1.335 -0.054 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.996 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.41 -36.59 84.23 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.438 0.461 . . . . 0.0 110.755 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -62.27 -44.71 95.9 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.649 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -74.56 -40.2 61.8 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.31 0.382 . . . . 0.0 111.07 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -64.56 -45.12 88.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.309 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -66.47 -34.27 77.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -59.6 -44.6 93.35 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.91 -41.67 86.72 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.027 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -64.5 -37.11 86.4 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.451 0.47 . . . . 0.0 111.355 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.79 -46.23 86.11 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.534 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.1 tm? -65.79 -42.88 90.21 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.73 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -60.6 -37.69 82.23 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.272 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 20.0 tp -61.42 -38.55 87.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.706 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.45 -43.97 97.54 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 123.527 0.517 . . . . 0.0 109.751 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.574 HD12 HD11 ' B' ' 44' ' ' ILE . 64.0 mt -66.13 -41.96 89.77 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -60.49 -43.48 96.94 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.72 -43.87 68.03 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.344 0.403 . . . . 0.0 111.805 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 67.4 mtm -63.99 -43.08 96.77 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.105 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.414 ' HB3' HD12 ' B' ' 73' ' ' LEU . 16.9 m-85 -63.69 -41.3 98.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.35 -35.05 79.8 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.456 0.473 . . . . 0.0 110.628 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.96 -40.09 95.63 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.4 -35.26 80.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.436 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -60.99 -46.92 88.8 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -135.86 139.31 43.29 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 17.4 m -58.77 -44.61 90.7 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.351 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 31.4 m -116.83 129.97 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.219 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 62.5 m -152.88 123.98 7.51 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -137.92 144.55 41.32 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.426 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -125.48 140.38 52.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.541 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.53 -39.82 94.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.476 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 108.01 -26.81 16.1 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 64.7 p -130.02 100.59 5.49 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 54.1 t -123.91 128.52 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.8 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -102.9 107.87 18.85 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -66.13 -44.83 83.09 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 697' ' ' TYR . . . . . 0.498 ' CE2' HG13 ' A' ' 20' ' ' VAL . 17.4 m-30 -97.95 132.96 43.06 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.442 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 61.4 mt -96.99 148.36 23.05 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.954 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 67.8 mt -114.34 126.05 54.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.996 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 700' ' ' ARG . . . . . 0.551 HH11 HD21 ' A' ' 82' ' ' LEU . 45.7 ttp180 -65.38 -21.1 66.64 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.981 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 15.4 t -60.44 -44.37 95.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.624 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 47.6 m -80.96 110.86 16.9 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -62.64 -42.14 99.43 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 88.4 mmm -107.26 94.89 5.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.386 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -118.57 -58.63 1.95 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.776 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -102.85 170.32 19.87 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -119.78 135.56 54.8 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.749 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 . . . . . 0 N--CA 1.495 1.818 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -68.39 130.44 42.88 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.615 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -96.13 143.4 27.29 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.927 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 t -88.13 93.45 9.5 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.975 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -107.07 13.8 27.06 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.149 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 17' ' ' VAL . 39.1 m -57.42 -41.69 80.91 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.492 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.0 mt -68.38 -42.74 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.53 -43.87 95.87 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.91 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 14' ' ' SER . 13.6 p -64.18 -36.62 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -55.99 -44.52 78.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.977 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.23 -39.81 95.68 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.508 0.505 . . . . 0.0 110.111 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.02 -42.59 93.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.489 ' HA ' HG12 ' A' ' 24' ' ' VAL . 33.7 tp -60.03 -36.91 78.31 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.66 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.28 -40.04 93.36 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.659 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.85 -36.77 64.91 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.987 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.9 p -79.33 -30.78 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.723 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.89 91.27 0.3 Allowed Pre-proline 0 CA--C 1.552 1.029 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.575 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.11 -35.9 99.04 Favored 'Trans proline' 0 N--CA 1.505 2.168 0 C-N-CA 122.558 2.172 . . . . 0.0 113.077 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -60.0 -50.96 71.69 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.558 ' HA ' HG22 ' A' ' 165' ' ' THR . 68.1 p -75.79 134.85 40.31 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.202 0.314 . . . . 0.0 110.705 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.03 -178.04 22.13 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.2 141.9 32.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 120.643 0.259 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 p -81.94 160.36 23.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.419 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -62.99 -38.36 90.83 Favored 'General case' 0 CA--C 1.5 -0.979 0 C-N-CA 124.752 1.221 . . . . 0.0 109.566 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.71 -42.04 87.02 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.843 0.857 . . . . 0.0 110.149 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.11 -37.09 86.21 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.721 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 mtp -62.62 -40.7 97.8 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.48 95.95 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.93 -43.45 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.7 mmm -62.24 -37.86 87.04 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.302 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -60.71 -42.04 96.46 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.421 0.451 . . . . 0.0 110.095 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.4 t -65.25 -39.41 92.64 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' HE2' HD21 ' A' ' 186' ' ' LEU . 91.1 t80 -61.38 -44.07 97.79 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.941 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.72 -44.83 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -62.96 -40.64 98.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.175 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.9 -41.66 99.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.533 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 49' ' ' ILE . 35.8 mm -63.84 -42.21 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.956 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD1' HD21 ' A' ' 140' ' ' LEU . 58.1 t80 -57.59 -45.16 85.62 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.81 -45.43 92.64 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 -65.07 -46.91 79.24 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.496 HD12 HG22 ' A' ' 45' ' ' ILE . 96.6 mt -64.41 -43.32 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.26 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.83 87.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.396 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.73 -46.76 88.86 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -65.96 -41.06 91.69 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.12 96.06 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.42 0.45 . . . . 0.0 110.558 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.3 m -61.82 -42.06 98.56 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.84 -41.87 99.51 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.49 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.81 -41.46 95.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.718 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.55 85.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -65.53 -41.39 93.13 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -58.9 -41.34 86.97 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.383 0.427 . . . . 0.0 110.002 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -85.03 6.85 23.6 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 53.59 31.66 12.92 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.09 133.48 45.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.1 m -88.1 -15.6 35.76 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.53 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 m -109.61 125.26 52.38 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-O 120.644 0.259 . . . . 0.0 110.768 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.444 HD11 ' OG ' ' A' ' 129' ' ' SER . 94.6 mt -88.79 134.16 29.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.515 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 81.0 p -127.56 175.95 7.86 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.999 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.5 p -57.81 -32.79 67.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.975 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -60.43 -45.37 93.88 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.149 0.281 . . . . 0.0 111.463 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -66.11 -41.94 89.9 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.255 0.347 . . . . 0.0 110.624 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.502 HD11 ' HB1' ' A' ' 136' ' ' ALA . 85.7 mt -64.63 -42.58 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.202 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -56.27 -44.13 79.43 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.148 0.28 . . . . 0.0 111.362 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.7 m -63.43 -45.48 90.71 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.4 91.74 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.102 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 70' ' ' ILE . 55.9 t -62.27 -45.39 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.642 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.11 -38.15 90.03 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.245 0.341 . . . . 0.0 111.549 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.62 -32.22 67.74 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.9 mt -86.66 -37.07 18.35 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mp -88.83 151.52 47.55 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.22 157.24 26.49 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.355 2.037 . . . . 0.0 111.33 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.33 -44.04 65.39 Favored Glycine 0 CA--C 1.534 1.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.868 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.92 -47.11 69.67 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.949 0.375 . . . . 0.0 111.84 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.5 mm? -64.54 -39.59 94.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.524 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.502 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -60.58 -38.54 84.94 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.315 0.384 . . . . 0.0 111.77 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -60.5 -46.61 89.5 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.215 0.322 . . . . 0.0 111.003 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 69.5 m80 -67.76 -37.4 82.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.423 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.92 92.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.4 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 83' ' ' ALA . 70.8 t -61.84 -43.57 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 123.331 0.394 . . . . 0.0 110.291 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -62.8 -47.06 85.09 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 124.13 0.972 . . . . 0.0 110.261 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.78 -44.98 84.14 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 123.599 0.76 . . . . 0.0 111.442 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.63 -39.26 97.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.4 m -61.02 -42.25 98.1 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 110.491 -0.188 . . . . 0.0 110.491 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -59.95 -41.07 91.06 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 123.432 0.458 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.503 ' HB1' HG12 ' A' ' 138' ' ' VAL . . . -62.57 -43.35 99.02 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.3 0.375 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.16 -45.03 87.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.027 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.1 p -64.11 -41.87 97.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.998 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.85 -36.5 83.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.137 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -58.37 -48.17 81.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 m -70.7 -39.68 73.31 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.477 0.485 . . . . 0.0 110.952 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.4 m -64.89 -50.62 65.85 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 120.497 -1.377 . . . . 0.0 111.381 -177.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.5 m -68.41 142.46 55.39 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 120.701 0.286 . . . . 0.0 110.895 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.97 166.31 4.72 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.497 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.8 p -62.77 102.17 0.32 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.559 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.26 165.32 13.17 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.471 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -82.18 -12.92 57.85 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.26 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 29.9 m -115.72 130.73 56.96 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.53 -43.11 95.07 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.363 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.4 m -62.28 -38.59 89.91 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.6 m -61.5 -38.97 89.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -64.04 -36.55 84.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.451 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -87.01 -23.43 25.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.658 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.41 24.86 75.94 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 141' ' ' ALA . 49.2 mt -95.23 139.42 31.58 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.03 -45.95 91.3 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.6 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -64.48 141.92 98.31 Favored Pre-proline 0 CA--C 1.546 0.807 0 O-C-N 123.528 0.518 . . . . 0.0 110.785 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.78 105.5 0.54 Allowed 'Trans proline' 0 N--CA 1.503 2.039 0 C-N-CA 122.335 2.024 . . . . 0.0 111.943 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.476 HG11 HG22 ' A' ' 138' ' ' VAL . 94.2 t -64.7 -42.56 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.606 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.86 -41.54 91.4 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -64.35 -38.18 90.14 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.36 0.124 . . . . 0.0 111.162 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -61.01 -43.83 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.66 -45.03 90.27 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.379 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.49 -39.87 94.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 62.8 mt -60.59 -42.18 96.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.318 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.79 -44.58 96.6 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.183 0.302 . . . . 0.0 110.755 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -67.61 -40.87 84.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.99 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.69 -40.21 96.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.685 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.26 -5.3 20.62 Favored Glycine 0 CA--C 1.541 1.689 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 20.0 m120 57.05 31.02 19.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 117.012 0.406 . . . . 0.0 111.414 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -64.27 -41.88 96.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.517 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.444 ' OG ' HD11 ' A' ' 65' ' ' ILE . 18.5 m -147.77 165.17 31.35 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.618 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -64.92 -39.58 93.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -135.33 148.24 49.4 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.455 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.73 136.93 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -82.64 177.46 53.45 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.664 -0.575 . . . . 0.0 111.664 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -92.49 -40.24 10.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.481 -0.359 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -66.18 -34.2 87.47 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.747 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.766 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -59.14 -59.94 12.19 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.321 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.766 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 41.0 Cg_exo -55.34 -36.31 93.48 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.827 1.685 . . . . 0.0 111.412 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 134' ' ' ALA . 90.7 t -62.03 -45.15 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -62.71 -46.7 86.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.106 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.408 HD21 ' CD1' ' A' ' 46' ' ' PHE . 34.4 tp -61.63 -40.95 96.68 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.521 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.504 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -60.13 -40.59 90.32 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.417 0.448 . . . . 0.0 110.998 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.88 89.32 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.34 0.4 . . . . 0.0 111.251 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 81.3 t -64.39 -42.98 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.126 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.39 -40.31 96.07 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.432 0.457 . . . . 0.0 111.001 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -61.48 -42.05 98.19 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.464 0.477 . . . . 0.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 58.4 t80 -61.72 -46.15 90.89 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.01 -41.45 96.56 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.401 0.438 . . . . 0.0 110.836 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.2 m -63.27 -44.6 94.65 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.46 0.475 . . . . 0.0 110.712 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.14 93.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.708 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.38 -43.0 95.85 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.238 0.337 . . . . 0.0 111.671 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.8 mt -66.32 -42.57 90.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 O-C-N 123.272 0.358 . . . . 0.0 110.149 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.4 -40.8 95.7 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLU . . . . . 0.41 ' OE2' HG22 ' A' ' 24' ' ' VAL . 48.8 tp10 -66.44 -44.35 83.09 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.134 0.271 . . . . 0.0 110.619 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.433 ' CB ' ' HB1' ' A' ' 175' ' ' ALA . 66.5 mt -63.19 -41.8 99.23 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.55 81.55 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.389 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.41 99.09 Favored Glycine 0 C--N 1.338 0.69 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -62.21 -45.02 95.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.01 85.48 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.96 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.665 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -56.96 -48.41 78.42 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.918 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -63.85 -37.94 89.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.967 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -66.04 -32.92 74.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -89.71 14.0 12.86 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.607 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 56.02 27.59 11.52 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.828 0.347 . . . . 0.0 111.2 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.665 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 98.6 mttt -132.28 105.46 7.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.788 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 165' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 28' ' ' THR . 6.9 m -61.72 -44.38 97.04 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -61.67 132.65 53.93 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.365 0.416 . . . . 0.0 109.946 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 66.3 mt -85.65 137.36 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.907 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.423 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 25.9 pt -139.25 166.48 24.33 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.145 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 76.2 Cg_exo -50.07 -34.4 38.3 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.343 2.028 . . . . 0.0 112.2 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -63.02 -39.84 95.95 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -67.06 -41.18 86.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.417 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.35 -42.43 98.68 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -60.1 -44.45 94.82 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.278 0.361 . . . . 0.0 110.555 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.38 -41.77 93.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.234 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.433 ' HB1' ' CB ' ' A' ' 154' ' ' LEU . . . -65.37 -45.66 83.2 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.813 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.623 HD13 HD13 ' A' ' 182' ' ' LEU . 35.7 mm -64.15 -44.81 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.77 -179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -73.1 -24.63 60.66 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -77.48 -16.73 58.58 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.154 0.284 . . . . 0.0 111.546 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -109.92 115.1 29.18 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.81 -39.91 90.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.229 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -60.67 -46.3 90.85 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.307 0.38 . . . . 0.0 111.531 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.623 HD13 HD13 ' A' ' 176' ' ' ILE . 40.9 mt -64.22 -37.53 87.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.145 0.278 . . . . 0.0 110.347 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.18 -39.43 92.66 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.955 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.99 -43.23 99.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.747 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 38.0 tp -62.33 -39.9 94.59 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.479 HD21 ' HE2' ' A' ' 41' ' ' PHE . 65.9 mt -88.19 -11.65 46.15 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.181 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 61.41 -77.36 0.02 OUTLIER Glycine 0 C--N 1.343 0.958 0 N-CA-C 111.481 -0.647 . . . . 0.0 111.481 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -149.59 64.52 1.0 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.926 0.393 . . . . 0.0 111.365 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 98.6 t -118.66 129.18 75.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 24.3 m -97.18 123.9 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.423 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.35 -47.24 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.999 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -150.54 133.5 16.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.637 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -69.15 -38.89 79.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.108 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.958 -179.828 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -103.89 131.01 51.53 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.123 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.429 HD12 HD12 ' B' ' 67' ' ' LEU . 33.4 pt -130.33 159.53 42.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.109 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -113.84 135.78 53.59 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.1 t -117.38 124.8 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -116.68 150.64 37.84 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.144 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.428 HG22 ' HB3' ' B' ' 69' ' ' LEU . 55.7 p -122.72 162.87 21.19 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.437 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.61 -21.68 65.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.5 p -70.31 -22.44 62.83 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 119.675 -1.891 . . . . 0.0 111.365 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.66 15.24 27.52 Favored Glycine 0 C--N 1.356 1.692 0 O-C-N 121.197 -0.94 . . . . 0.0 112.535 -173.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -94.07 125.19 38.55 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 117.086 0.443 . . . . 0.0 110.049 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.9 m -110.98 124.26 51.8 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.943 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.53 HD12 ' HD2' ' B' ' 33' ' ' LYS . 47.6 pt -122.28 136.62 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.797 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -88.85 132.14 34.79 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -139.58 142.13 37.15 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.234 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -111.92 120.97 43.71 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.469 0.481 . . . . 0.0 110.228 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.39 164.33 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -103.84 147.95 35.07 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.602 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.66 -40.78 64.03 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.372 2.048 . . . . 0.0 112.42 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -79.24 -6.37 56.47 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.267 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -65.01 136.68 57.07 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.4 p -78.05 157.64 29.49 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.109 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.7 mm -65.36 -41.76 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.897 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -53.55 -42.88 67.95 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -65.04 -40.11 94.31 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.273 0.358 . . . . 0.0 110.321 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.92 -46.05 97.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.682 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -59.3 -37.03 76.7 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.71 84.09 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.386 0.429 . . . . 0.0 110.037 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.92 -38.87 92.68 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.65 -43.84 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -57.63 -36.37 71.73 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.113 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.38 -35.93 81.57 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.396 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.53 ' HD2' HD12 ' B' ' 13' ' ' ILE . 68.2 mttm -91.0 -32.79 15.79 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -101.24 -39.67 7.52 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 175.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.56 21.86 46.03 Favored Glycine 0 C--N 1.359 1.841 0 C-N-CA 125.333 1.444 . . . . 0.0 111.405 -168.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -88.16 129.98 47.82 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.307 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -58.26 123.61 14.02 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.93 1.753 . . . . 0.0 111.601 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 51.8 Cg_exo -51.5 -38.93 65.18 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.242 1.961 . . . . 0.0 112.515 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -66.53 -37.26 84.62 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 117.391 -1.724 . . . . 0.0 108.537 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -84.45 9.29 13.76 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 122.024 -0.423 . . . . 0.0 111.77 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 7.1 pt20 -125.74 141.62 51.92 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.641 0.258 . . . . 0.0 111.202 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -115.67 133.01 56.46 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.99 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' B' ' 50' ' ' LEU . 67.9 mt -104.59 134.23 48.11 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.657 HD11 HD12 ' C' ' 676' ' ' LEU . 94.8 mt -124.89 137.95 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.691 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -123.62 126.2 46.19 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.27 29.01 14.16 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.464 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.97 15.68 80.22 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -112.08 134.67 53.49 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 117.136 0.468 . . . . 0.0 110.336 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.491 ' OE1' HD21 ' C' ' 676' ' ' LEU . 26.1 mt-30 -61.62 149.42 39.35 Favored 'General case' 0 CA--C 1.515 -0.392 0 O-C-N 123.465 0.478 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' B' ' 43' ' ' LEU . 85.3 mt -117.65 130.32 56.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.954 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -85.27 141.71 29.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.1 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.98 -39.75 93.93 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.919 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.6 9.97 26.33 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 116.037 -0.529 . . . . 0.0 113.351 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -112.09 165.05 12.48 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 117.257 0.528 . . . . 0.0 110.773 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 31.3 p -106.13 164.75 11.74 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.14 -40.78 98.55 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.577 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -61.67 -29.51 70.12 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.637 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -64.38 -25.14 67.9 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.186 0.304 . . . . 0.0 111.309 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -96.84 12.09 33.41 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 57.01 44.09 23.41 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.043 0.449 . . . . 0.0 111.211 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.31 127.75 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -101.3 -179.45 4.04 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.836 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.15 146.02 40.37 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 52.7 84.14 0.06 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.4 m -129.51 149.39 51.3 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.8 m -98.65 124.67 43.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.717 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.429 HD12 HD12 ' B' ' 3' ' ' ILE . 84.7 mt -116.64 126.31 53.04 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.189 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -91.55 142.86 27.19 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.954 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.428 ' HB3' HG22 ' B' ' 7' ' ' THR . 24.9 tp -110.42 130.87 55.46 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.287 0.565 . . . . 0.0 111.746 -177.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.698 HG22 ' HB1' ' C' ' 673' ' ' ALA . 19.4 t -126.85 165.01 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.47 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.478 ' N ' HG12 ' B' ' 70' ' ' VAL . 10.6 tp -113.45 115.63 28.35 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.58 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -79.76 135.59 36.54 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.488 HD22 ' NH2' ' C' ' 684' ' ' ARG . 60.0 mt -102.98 61.67 0.79 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.951 0.405 . . . . 0.0 111.215 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -132.45 144.84 50.76 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.432 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.44 164.06 34.43 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.894 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -110.15 92.44 4.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.762 0.315 . . . . 0.0 110.814 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 59.2 mtt -136.03 147.85 48.11 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.573 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -145.31 83.09 9.33 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.386 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -70.87 -13.18 31.72 Favored 'Trans proline' 0 N--CA 1.502 1.971 0 C-N-CA 122.205 1.936 . . . . 0.0 112.782 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.2 t -63.3 -42.31 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 57.9 mt -60.28 -43.23 96.42 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.161 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 97.2 mtt-85 -68.13 -38.77 82.56 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.105 0.253 . . . . 0.0 110.755 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -68.07 -39.43 82.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.336 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.16 -39.78 94.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.943 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.23 -43.7 90.6 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.322 0.389 . . . . 0.0 110.783 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -66.32 -42.37 88.33 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.44 -41.35 93.57 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.392 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.95 -43.12 99.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.273 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -65.7 -42.55 91.02 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.263 0.352 . . . . 0.0 110.689 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -69.27 -31.99 70.87 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.896 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -62.4 -45.71 91.88 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.108 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.22 -35.21 79.12 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.484 0.49 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -60.04 -46.54 89.19 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.17 -35.65 81.75 Favored 'General case' 0 C--O 1.228 -0.049 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.398 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -63.96 -36.26 83.37 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 123.417 0.448 . . . . 0.0 110.803 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -65.32 -46.04 81.88 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.313 0.383 . . . . 0.0 110.108 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.507 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.1 tm? -67.68 -42.71 81.65 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.043 0.449 . . . . 0.0 109.857 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.698 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -63.07 -38.99 93.38 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.387 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.11 -37.99 87.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.734 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -61.99 -42.46 99.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 123.61 0.569 . . . . 0.0 109.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.657 HD12 HD11 ' B' ' 44' ' ' ILE . 77.2 mt -64.72 -42.19 95.41 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 123.413 0.445 . . . . 0.0 110.437 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -59.94 -43.8 94.75 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.076 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -71.59 -42.05 68.22 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.798 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 679' ' ' MET . . . . . 0.403 ' HE3' ' HA ' ' C' ' 676' ' ' LEU . 60.1 mtm -62.54 -46.19 89.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.745 -178.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -61.87 -41.47 97.9 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.582 0.551 . . . . 0.0 110.461 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.95 -34.88 78.73 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.391 0.432 . . . . 0.0 110.617 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.2 -38.64 91.79 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -53.54 -38.73 64.09 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.678 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.488 ' NH2' HD22 ' B' ' 73' ' ' LEU . 75.0 mtt180 -60.85 -34.97 75.4 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.295 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 56.75 57.1 4.96 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.977 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 6.0 t -142.65 157.83 44.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.383 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.57 -45.41 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.072 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 20.6 m -66.53 145.87 55.15 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -143.74 152.61 41.49 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.372 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 28.3 tpt85 -58.98 -44.29 91.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.7 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -94.12 143.44 26.37 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -162.47 -80.57 0.04 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 89.8 p -155.02 170.01 22.78 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.536 0.208 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 80.9 t -111.77 132.7 59.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.819 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -125.64 122.7 37.17 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.879 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.59 178.2 0.45 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.27 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -68.6 146.98 52.57 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.373 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 69.1 mt -71.71 131.0 42.5 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.763 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 78.0 mt -139.17 136.2 34.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.383 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -64.06 -38.48 91.21 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.695 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 77.5 p -62.38 -36.4 82.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 11.6 t -58.12 -50.66 72.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.691 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 64.4 t30 50.49 30.27 4.57 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.296 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 77.3 mtm -97.17 135.74 38.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.282 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -64.65 140.23 58.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.592 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -101.66 151.75 18.62 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.5 72.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.531 0.205 . . . . 0.0 110.607 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 74.8 tttt . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.504 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.06 -41.92 98.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.654 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -117.59 111.01 18.62 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.166 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -82.83 131.96 35.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.27 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -118.26 28.2 8.51 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.293 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.1 m -57.07 -40.16 76.35 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.66 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.0 mt -65.45 -43.17 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.796 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -67.14 -44.69 79.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.071 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.77 -35.63 75.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -44.07 76.76 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.31 -41.99 98.99 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.539 0.524 . . . . 0.0 110.123 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.64 -42.85 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.59 -37.29 80.89 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.849 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.76 -39.77 91.37 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -36.59 71.39 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.983 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -78.14 -31.89 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.525 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -178.25 91.27 0.23 Allowed Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.384 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -54.96 -36.73 93.0 Favored 'Trans proline' 0 N--CA 1.505 2.176 0 C-N-CA 122.567 2.178 . . . . 0.0 112.946 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.81 -44.86 96.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.019 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -67.65 137.4 55.56 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.252 0.345 . . . . 0.0 110.871 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.44 168.37 12.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 tt -137.66 144.6 30.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.715 0.293 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 m -74.47 146.67 42.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.257 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.1 p -63.5 -36.35 83.48 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.752 0.421 . . . . 0.0 110.355 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -67.59 -43.45 80.5 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.166 0.586 . . . . 0.0 110.321 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.67 88.43 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttm -63.77 -42.04 97.85 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.98 -38.03 93.58 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.04 -41.67 93.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.3 mmm -61.33 -37.98 85.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.157 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -61.35 -40.2 93.39 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 t -62.87 -38.5 91.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.171 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' HE2' HD21 ' A' ' 186' ' ' LEU . 58.9 t80 -60.82 -44.1 97.35 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.518 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.8 t -59.77 -44.41 93.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.09 -41.4 97.31 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.419 0.449 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.44 -42.78 98.69 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.34 0.4 . . . . 0.0 111.463 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.44 HG22 HD12 ' A' ' 49' ' ' ILE . 36.2 mm -63.74 -41.19 91.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.441 ' CD2' HD21 ' A' ' 140' ' ' LEU . 86.1 t80 -56.51 -45.68 80.92 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 -179.355 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -64.91 -43.21 93.56 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.296 0.372 . . . . 0.0 111.902 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -64.14 -46.62 83.28 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.504 HG21 HD13 ' A' ' 140' ' ' LEU . 91.9 mt -64.93 -43.42 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.037 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.86 84.5 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.431 0.457 . . . . 0.0 111.351 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.97 -46.37 81.85 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.73 -42.46 95.19 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 110.526 -0.175 . . . . 0.0 110.526 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.13 93.67 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -61.46 -40.82 95.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -59.35 -43.31 92.82 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.373 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.99 -40.32 97.4 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.58 91.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.376 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -62.49 -39.57 93.9 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.26 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -63.16 -41.45 99.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.29 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -91.91 3.47 55.11 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.18 -0.463 . . . . 0.0 112.191 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.0 mttp 54.18 35.99 23.85 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.897 0.379 . . . . 0.0 111.394 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -93.32 136.18 33.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.1 m -88.72 -26.5 21.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.491 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.7 m -106.46 129.31 54.45 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.6 mt -92.87 134.75 29.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.445 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 82.3 p -129.07 177.01 7.44 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.012 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.9 p -56.2 -32.49 64.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.962 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -59.71 -44.63 93.62 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.3 mp0 -66.55 -40.92 89.29 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.215 0.322 . . . . 0.0 110.623 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.589 HD11 ' HB1' ' A' ' 136' ' ' ALA . 90.1 mt -65.01 -42.73 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.253 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 139' ' ' TYR . 82.5 mt-30 -56.11 -43.76 78.43 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.233 0.333 . . . . 0.0 110.989 -178.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.5 m -63.57 -43.73 96.16 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.318 0.386 . . . . 0.0 110.231 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.0 93.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.561 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 70' ' ' ILE . 81.6 t -61.86 -43.6 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.423 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.31 -38.67 91.85 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.265 0.353 . . . . 0.0 111.602 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.1 mt -74.19 -33.07 63.31 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.6 mt -86.46 -35.7 19.5 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 78' ' ' LEU . 8.0 mp -103.16 149.62 37.09 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -58.72 164.3 9.77 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 122.375 2.05 . . . . 0.0 111.447 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.48 -46.08 74.37 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-N 116.327 -0.397 . . . . 0.0 112.558 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.43 -46.95 86.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.76 0.28 . . . . 0.0 111.645 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.3 mm? -64.72 -41.77 95.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.409 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.29 -40.42 93.83 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.815 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.21 -47.1 87.38 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.125 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -70.11 -36.63 74.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.474 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.11 83.93 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.308 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 83' ' ' ALA . 86.6 t -63.45 -43.01 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.563 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.2 m -62.18 -38.48 89.23 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -70.2 -41.71 73.33 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 122.478 0.311 . . . . 0.0 111.241 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.98 -39.74 93.29 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.8 m -60.39 -45.87 92.0 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -59.95 -41.02 90.97 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 123.514 0.509 . . . . 0.0 110.563 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.44 93.32 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.79 -40.95 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.9 m -59.95 -44.03 94.64 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.761 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -61.4 -41.0 96.43 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -61.13 -45.08 96.15 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.0 p -68.91 -37.92 79.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.0 p -74.62 -33.32 62.55 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 119.587 -1.946 . . . . 0.0 110.958 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 88.4 p -66.15 -32.8 74.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 118.178 0.444 . . . . 0.0 111.036 178.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 100' ' ' SER . . . 69.84 -66.88 0.25 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.355 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.2 p -142.76 119.04 10.83 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.527 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB3' ' CG ' ' A' ' 109' ' ' ARG . . . -118.38 -173.58 2.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.481 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -95.1 -48.27 6.02 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.1 m -109.89 155.64 21.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.669 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -67.45 -43.46 81.04 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.611 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.5 m -63.82 -37.55 87.8 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.946 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.2 p -64.18 -32.89 74.64 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.279 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.579 ' CG ' ' HB3' ' A' ' 103' ' ' ALA . 99.6 mtt180 -61.41 -35.42 77.48 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.868 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.502 ' CB ' HG13 ' A' ' 138' ' ' VAL . . . -99.58 -20.99 16.08 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.607 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.68 22.68 76.83 Favored Glycine 0 CA--C 1.533 1.201 0 N-CA-C 111.616 -0.593 . . . . 0.0 111.616 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' A' ' 141' ' ' ALA . 68.6 mt -86.48 139.13 31.18 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.537 0.208 . . . . 0.0 110.459 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -61.73 -51.14 69.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -62.59 133.77 94.94 Favored Pre-proline 0 CA--C 1.545 0.75 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.731 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -54.57 108.48 0.3 Allowed 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.14 1.893 . . . . 0.0 111.905 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.6 t -64.35 -43.15 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.24 -41.18 86.25 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.91 -38.28 90.45 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.45 0.125 . . . . 0.0 111.144 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.47 -45.41 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' HIS . . . . . 0.5 ' CE1' ' HB ' ' A' ' 132' ' ' VAL . 13.0 t-80 -63.52 -41.75 98.48 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.322 0.389 . . . . 0.0 110.391 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -66.26 -39.71 89.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.7 -39.82 92.81 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.408 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.45 -43.13 99.41 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.271 0.357 . . . . 0.0 110.841 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -65.52 -41.71 92.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.661 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -62.41 -39.43 93.23 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.26 -4.48 29.93 Favored Glycine 0 CA--C 1.54 1.616 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 66.0 t30 58.01 29.03 17.11 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 116.984 0.392 . . . . 0.0 111.487 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -62.87 -44.45 96.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 82.7 p -152.9 158.79 42.66 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.635 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.63 -39.38 93.61 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -129.89 143.6 50.89 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' VAL . . . . . 0.5 ' HB ' ' CE1' ' A' ' 120' ' ' HIS . 50.3 t -125.2 140.1 49.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.24 178.23 51.73 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -95.36 -42.37 8.54 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.719 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.77 90.8 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.719 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.795 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -59.76 -60.21 11.33 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 118.963 -0.542 . . . . 0.0 110.473 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.795 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 37.0 Cg_exo -54.43 -38.07 89.5 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.838 1.692 . . . . 0.0 111.373 178.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 134' ' ' ALA . 98.2 t -62.8 -45.72 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' TYR . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 71' ' ' GLN . 49.1 t80 -62.13 -45.42 93.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.115 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.504 HD13 HG21 ' A' ' 49' ' ' ILE . 40.5 tp -61.41 -41.65 97.48 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.644 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -60.87 -38.84 86.99 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.413 ' HA ' HD22 ' A' ' 112' ' ' LEU . . . -66.65 -40.27 88.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.191 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.46 -44.2 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.209 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.32 -39.57 93.47 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -63.25 -38.55 91.62 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.417 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -61.04 -46.51 90.4 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.347 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.4 -40.71 95.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.7 m -62.51 -44.73 95.66 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.379 0.424 . . . . 0.0 110.809 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.92 89.02 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.704 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.42 ' OE2' HD23 ' C' ' 699' ' ' LEU . 41.6 tp10 -68.8 -42.53 77.19 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.282 0.363 . . . . 0.0 111.538 -178.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.69 -43.39 96.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.058 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.83 -40.36 97.19 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.638 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -64.9 -43.48 92.71 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.145 0.278 . . . . 0.0 110.824 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.525 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 76.5 mt -64.14 -40.22 95.7 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.67 -37.04 82.6 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.564 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -65.06 -38.89 95.93 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -61.39 -43.7 98.42 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.423 0.154 . . . . 0.0 110.667 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.71 91.05 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.64 87.76 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.161 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -62.49 -39.08 92.32 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.111 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.1 -34.6 76.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.545 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -91.74 10.97 26.15 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.62 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 56.48 46.95 19.73 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.104 0.478 . . . . 0.0 111.105 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -132.89 145.82 51.26 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.717 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 13.9 p -103.03 -1.09 29.83 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.257 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -106.54 145.02 32.38 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 64.3 mt -103.64 129.92 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ILE . . . . . 0.407 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 26.7 pt -130.86 166.7 25.53 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.052 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 78.2 Cg_exo -50.71 -34.13 42.84 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.25 1.966 . . . . 0.0 112.06 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -63.51 -40.91 98.29 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -66.17 -41.08 90.81 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.365 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.9 -42.0 98.56 Favored 'General case' 0 C--O 1.232 0.168 0 O-C-N 123.512 0.508 . . . . 0.0 110.72 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -64.3 -43.47 94.64 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.352 0.408 . . . . 0.0 110.346 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.48 -44.54 94.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -65.87 -45.6 81.5 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.277 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.97 -44.11 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.104 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -68.79 -27.1 65.57 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.493 0.496 . . . . 0.0 111.23 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -78.47 -17.08 56.83 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.199 0.312 . . . . 0.0 111.517 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -104.88 117.83 35.02 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -64.25 -39.35 93.77 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.543 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -61.39 -48.08 82.88 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 123.287 0.367 . . . . 0.0 111.361 -179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.3 -37.73 88.05 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.648 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -60.5 -39.36 87.47 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.322 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -64.13 -44.04 93.43 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.531 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.13 -42.8 93.52 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.434 HD21 ' HE2' ' A' ' 41' ' ' PHE . 68.4 mt -102.43 21.75 14.63 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.244 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.57 -40.28 77.83 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -95.39 15.47 19.43 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 84.8 t -126.53 128.62 71.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 10.2 t -110.16 129.32 55.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.414 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 41.2 mm -65.96 -44.75 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.294 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -145.18 153.67 41.6 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.646 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -96.5 146.4 24.83 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.755 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.953 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ttp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -119.64 132.71 55.76 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.061 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 pt -132.9 150.49 32.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.192 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.39 140.7 38.1 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.828 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.405 HG21 HD22 ' B' ' 15' ' ' LEU . 49.0 t -123.12 121.68 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -116.55 149.94 38.79 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.356 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.429 HG22 ' HB3' ' B' ' 69' ' ' LEU . 45.5 p -115.31 164.41 14.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.369 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.31 -19.26 61.57 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.35 0.406 . . . . 0.0 110.98 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -69.39 -24.98 63.94 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 119.253 -2.154 . . . . 0.0 111.419 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.45 2.54 33.04 Favored Glycine 0 C--N 1.359 1.809 0 CA-C-N 119.582 1.083 . . . . 0.0 112.652 -175.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -79.86 153.31 29.14 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 117.145 0.473 . . . . 0.0 110.061 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.4 m -131.95 126.07 33.17 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.322 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.703 HD12 ' HD2' ' B' ' 33' ' ' LYS . 47.8 pt -126.8 134.68 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.452 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.6 t -86.43 138.12 32.02 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.405 HD22 HG21 ' B' ' 5' ' ' VAL . 1.5 mp -128.31 135.39 49.55 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -111.22 112.23 23.87 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.55 0.531 . . . . 0.0 109.961 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.9 m -141.73 169.03 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.088 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.66 157.29 34.92 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 123.256 0.348 . . . . 0.0 110.573 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -53.55 -36.51 80.65 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.409 2.072 . . . . 0.0 112.506 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -79.19 -7.1 57.96 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.382 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.54 140.41 58.55 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.582 0.23 . . . . 0.0 110.595 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 16.6 p -82.55 159.59 22.76 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.016 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -64.99 -42.16 94.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.445 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -55.1 -39.24 69.11 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -63.93 -41.19 97.71 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 123.287 0.367 . . . . 0.0 110.134 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.61 -44.27 98.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.584 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.06 -36.96 73.53 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.7 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.07 86.88 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -62.84 -37.77 88.13 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.62 -41.38 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -57.2 -38.96 74.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.125 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -64.92 -43.32 93.19 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.437 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.703 ' HD2' HD12 ' B' ' 13' ' ' ILE . 68.8 mttm -78.62 -42.31 29.22 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.523 ' HG2' HD12 ' B' ' 36' ' ' ILE . 4.5 tp10 -90.74 -35.51 14.84 Favored 'General case' 0 N--CA 1.433 -1.299 0 O-C-N 121.25 -0.906 . . . . 0.0 113.265 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.75 25.79 40.6 Favored Glycine 0 C--N 1.358 1.778 0 O-C-N 121.655 -0.653 . . . . 0.0 111.622 -173.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.523 HD12 ' HG2' ' B' ' 34' ' ' GLU . 56.8 mt -109.97 140.4 22.27 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 119.228 -0.415 . . . . 0.0 110.093 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -50.88 126.64 19.08 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.873 1.716 . . . . 0.0 111.828 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.8 -28.18 81.39 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.238 1.958 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.16 -26.7 64.04 Favored 'General case' 0 N--CA 1.434 -1.227 0 O-C-N 120.725 -1.234 . . . . 0.0 109.473 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -92.78 10.9 28.91 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 119.788 -1.82 . . . . 0.0 111.6 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -116.72 130.39 56.7 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.685 0.278 . . . . 0.0 111.648 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -103.03 126.52 50.25 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.813 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -104.74 129.07 53.03 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.564 HD11 HD12 ' C' ' 676' ' ' LEU . 95.4 mt -120.82 136.94 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.043 -178.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -123.64 128.94 50.38 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.35 26.8 9.1 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.64 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.84 16.27 77.51 Favored Glycine 0 CA--C 1.536 1.382 0 N-CA-C 112.275 -0.33 . . . . 0.0 112.275 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -113.69 133.93 55.04 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.998 0.399 . . . . 0.0 110.125 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -61.85 148.73 42.39 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.362 0.414 . . . . 0.0 110.305 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 83.3 mt -115.32 142.59 46.48 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.11 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -102.34 147.58 26.52 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.017 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -63.85 -39.03 93.25 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.882 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.8 22.3 5.88 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 123.626 0.579 . . . . 0.0 113.187 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -119.85 151.63 38.56 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 117.241 0.52 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 18.8 p -101.96 164.03 11.93 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.697 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.39 -40.34 96.19 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.513 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -59.21 -32.65 70.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.513 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.08 -34.3 77.3 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.104 0.252 . . . . 0.0 111.079 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -90.6 10.13 26.82 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 123.234 0.334 . . . . 0.0 111.74 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 57.25 44.94 21.2 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.059 0.457 . . . . 0.0 111.094 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -93.55 125.54 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 -176.15 3.08 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.741 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -56.32 144.16 31.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.824 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 55.47 89.2 0.04 OUTLIER 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.36 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -130.84 143.82 51.01 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.0 m -99.0 126.99 44.83 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.325 0.391 . . . . 0.0 110.466 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 69.8 mt -117.29 142.56 46.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.001 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -103.85 143.68 32.51 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.067 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.429 ' HB3' HG22 ' B' ' 7' ' ' THR . 18.7 tp -110.15 131.26 55.21 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.859 -177.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.737 HG22 ' HB1' ' C' ' 673' ' ' ALA . 13.6 t -127.9 163.79 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.778 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.458 ' N ' HG12 ' B' ' 70' ' ' VAL . 16.2 tp -101.42 132.32 47.08 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -94.87 137.0 34.51 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.722 HD13 ' HD3' ' C' ' 684' ' ' ARG . 38.1 mt -127.47 142.58 51.36 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.835 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 57.87 163.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.795 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.37 24.01 74.19 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.742 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -115.27 137.35 52.13 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.666 0.269 . . . . 0.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 97.0 mmm -68.42 -68.59 0.38 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 176.35 57.83 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.145 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.249 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.51 -23.52 57.52 Favored 'Trans proline' 0 N--CA 1.504 2.126 0 C-N-CA 122.163 1.908 . . . . 0.0 112.877 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.469 HG12 ' CE ' ' C' ' 659' ' ' MET . 49.0 t -64.39 -43.29 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.47 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 27.5 mt -60.74 -43.32 98.09 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.207 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -63.74 -39.45 94.32 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.221 0.326 . . . . 0.0 110.494 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.25 -39.33 78.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.47 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 74.3 mtm -64.59 -40.85 96.26 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.91 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.87 -42.3 85.85 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.242 0.339 . . . . 0.0 110.835 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -65.34 -43.55 90.57 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.18 -41.73 96.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.222 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.4 -42.62 99.57 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.388 0.43 . . . . 0.0 110.965 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -66.33 -41.12 90.08 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.271 0.357 . . . . 0.0 110.729 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.15 -32.93 72.62 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.105 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.54 -46.16 87.25 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.274 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.56 -34.85 72.67 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.503 0.502 . . . . 0.0 110.793 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -64.66 -38.48 91.15 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.37 -37.92 89.2 Favored 'General case' 0 C--N 1.339 0.136 0 O-C-N 123.392 0.433 . . . . 0.0 110.298 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.02 -38.22 90.27 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.406 0.441 . . . . 0.0 110.916 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.94 -46.07 79.52 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.216 0.322 . . . . 0.0 110.347 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.508 ' C ' HD13 ' C' ' 672' ' ' LEU . 2.9 tm? -66.23 -42.3 88.86 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.737 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -63.17 -38.44 91.17 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.454 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.34 -38.79 88.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.849 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -62.55 -43.36 99.02 Favored 'General case' 0 N--CA 1.457 -0.099 0 O-C-N 123.438 0.461 . . . . 0.0 109.892 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.564 HD12 HD11 ' B' ' 44' ' ' ILE . 91.1 mt -66.08 -42.31 89.52 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.06 -43.45 95.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.787 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -70.57 -40.66 73.19 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.213 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 43.2 mtp -63.23 -48.35 78.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.196 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 680' ' ' PHE . . . . . 0.52 ' C ' HD12 ' B' ' 73' ' ' LEU . 35.4 m-85 -63.11 -40.61 98.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.541 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -65.73 -34.78 78.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -72.42 -38.86 68.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.002 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.91 -49.19 76.35 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.678 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 684' ' ' ARG . . . . . 0.722 ' HD3' HD13 ' B' ' 73' ' ' LEU . 32.5 ptt180 -69.07 -19.64 64.08 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.273 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 70.95 -67.29 0.26 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.694 0.398 . . . . 0.0 110.757 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.88 -178.8 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.382 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.97 -25.99 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.69 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 29.8 t 58.08 68.34 0.85 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 120.884 0.373 . . . . 0.0 110.755 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -131.71 167.79 18.87 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -55.08 133.31 48.71 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.545 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -102.0 148.75 24.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.571 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 80.61 -167.88 50.77 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 44.1 t -154.55 168.94 25.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.509 0.195 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.87 -44.42 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.948 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -80.87 138.46 36.18 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.16 -48.38 68.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.272 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -135.68 163.5 30.01 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.179 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 31.5 tp -84.64 129.87 34.79 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.707 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 699' ' ' LEU . . . . . 0.42 HD23 ' OE2' ' A' ' 150' ' ' GLU . 52.3 mt -131.09 164.1 26.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.218 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 94.9 mtm-85 -59.91 -37.56 79.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 88.2 p -54.62 127.66 28.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 44.8 t -70.57 147.02 49.73 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.783 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -80.04 138.32 36.98 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 93.8 mtp -64.27 -40.91 96.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -165.18 152.39 10.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.6 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 136.7 -172.13 22.68 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -66.29 148.12 52.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.532 0.206 . . . . 0.0 110.451 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.587 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -67.82 133.02 48.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.721 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -127.33 138.77 53.12 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.181 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -81.46 123.33 28.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.089 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -115.39 22.56 13.14 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.538 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.2 p -58.84 -41.37 86.78 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 110.404 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.96 -42.55 88.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.48 -43.66 89.56 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.171 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.57 -36.57 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -56.61 -43.66 80.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.967 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.11 -40.82 95.21 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.968 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG22 ' OE1' ' A' ' 113' ' ' GLN . 68.3 t -61.79 -44.43 98.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.538 ' HA ' HG12 ' A' ' 24' ' ' VAL . 35.4 tp -60.77 -37.61 82.47 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.921 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.36 -37.58 87.83 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.412 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -34.78 36.91 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.453 0.471 . . . . 0.0 110.97 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 21' ' ' LEU . 1.7 p -76.88 -30.15 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.348 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.53 91.96 0.2 Allowed Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -55.0 -36.16 91.9 Favored 'Trans proline' 0 N--CA 1.504 2.113 0 C-N-CA 122.462 2.108 . . . . 0.0 112.912 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -62.97 -44.37 96.24 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.09 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -70.15 137.42 51.02 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.225 0.328 . . . . 0.0 110.535 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.31 171.74 14.03 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.514 HD13 ' SD ' ' A' ' 35' ' ' MET . 17.0 tt -135.65 141.11 43.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.263 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.6 p -82.13 158.66 23.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.076 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.6 m -61.05 -34.84 75.5 Favored 'General case' 0 CA--C 1.498 -1.049 0 C-N-CA 123.912 0.885 . . . . 0.0 109.839 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.53 -40.78 89.3 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.492 0.717 . . . . 0.0 110.473 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' HB3' ' CG1' ' A' ' 30' ' ' ILE . . . -63.95 -36.4 83.85 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.514 ' SD ' HD13 ' A' ' 30' ' ' ILE . 24.7 mmm -61.84 -44.81 96.09 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.01 -40.46 99.33 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.223 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.53 -43.73 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.28 -39.17 89.22 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.146 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.54 -42.35 98.4 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.164 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.2 p -66.77 -33.64 76.06 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.472 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -62.06 -44.76 96.0 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.864 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.35 -45.51 96.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -62.47 -42.81 99.74 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.372 0.42 . . . . 0.0 111.381 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.21 -46.16 85.1 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.391 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.17 -41.75 93.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.923 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CD2' HD21 ' A' ' 140' ' ' LEU . 73.7 t80 -57.05 -45.33 83.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -63.51 -42.41 98.48 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 123.258 0.349 . . . . 0.0 111.403 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.02 -45.09 90.46 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.276 0.36 . . . . 0.0 111.727 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 140' ' ' LEU . 90.2 mt -65.83 -43.78 93.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 123.257 0.348 . . . . 0.0 110.232 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.71 89.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.452 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.99 95.39 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -67.69 -40.93 84.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.78 96.05 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.386 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.8 p -61.39 -43.48 98.8 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.322 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -63.26 -40.33 97.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.481 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.73 -39.82 95.27 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.723 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -62.03 -37.71 85.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -65.1 -42.28 94.16 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.189 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.16 -40.21 95.25 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.421 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -92.0 2.39 56.59 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.987 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 53.42 33.5 16.07 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.735 0.303 . . . . 0.0 111.175 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 97.0 mtt-85 -95.72 117.03 29.75 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.402 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.8 p -67.85 -39.39 83.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.444 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.1 m -97.28 131.48 43.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.802 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.1 mt -88.69 135.13 26.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 73.0 p -128.93 176.72 7.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.932 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.2 m -56.29 -33.53 65.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.956 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.68 -44.24 97.32 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.122 0.264 . . . . 0.0 111.67 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -66.46 -43.25 86.03 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.045 0.216 . . . . 0.0 110.593 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.656 ' CD1' ' HB1' ' A' ' 136' ' ' ALA . 89.2 mt -64.59 -41.7 93.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.826 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -55.56 -43.56 76.0 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.268 0.355 . . . . 0.0 110.669 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.1 m -62.75 -45.15 94.01 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.314 0.384 . . . . 0.0 110.168 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.09 -37.62 88.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.486 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' ILE . 52.9 t -61.95 -45.22 99.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.169 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -62.79 -39.02 92.96 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.346 0.404 . . . . 0.0 111.384 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.0 mt -72.68 -34.66 67.35 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.1 mt -81.78 -37.96 26.37 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 78' ' ' LEU . 8.4 mp -95.51 146.24 30.97 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -56.43 165.67 4.2 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.157 1.905 . . . . 0.0 111.533 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.06 -47.5 54.48 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.696 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -65.05 -44.02 90.39 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 117.009 0.404 . . . . 0.0 111.521 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.71 -39.86 95.36 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.36 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.07 -42.34 98.32 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.287 0.367 . . . . 0.0 111.855 -179.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.2 -44.17 97.17 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.101 0.25 . . . . 0.0 111.161 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.486 ' HB3' HD23 ' C' ' 698' ' ' LEU . 56.2 m80 -70.71 -36.41 73.22 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.351 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.66 -37.7 79.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' ALA . 90.3 t -62.92 -38.12 81.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 123.429 0.456 . . . . 0.0 110.018 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -60.34 -50.02 75.26 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.493 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 15.4 mt-10 -68.88 -40.39 79.27 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-N 119.169 0.895 . . . . 0.0 111.744 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.34 -47.88 55.34 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 121.366 -0.445 . . . . 0.0 112.104 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.8 m -63.57 -46.09 87.44 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.448 0.166 . . . . 0.0 110.699 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.63 -37.73 87.48 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.803 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.43 90.09 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.345 0.403 . . . . 0.0 110.015 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.02 -44.06 92.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.4 m -61.24 -42.85 99.33 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.113 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -61.66 -41.63 97.8 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -61.17 -45.42 94.67 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 42.3 p -68.69 -34.58 75.9 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.243 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.1 p -66.94 -42.88 84.57 Favored 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 118.788 -2.445 . . . . 0.0 111.541 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 t -72.33 125.42 27.33 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 118.852 -1.139 . . . . 0.0 110.865 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.78 73.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.626 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.5 t -153.88 141.05 19.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.763 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.588 ' HB3' ' HG3' ' A' ' 109' ' ' ARG . . . -142.67 150.18 39.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.319 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -65.19 -39.41 92.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.004 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.3 p -119.83 153.23 36.08 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -69.38 -40.66 77.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.157 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -32.67 71.72 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.609 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.4 t -61.99 -40.12 94.53 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.588 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 78.5 mtp85 -64.74 -36.3 83.84 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' ' 138' ' ' VAL . . . -86.63 -21.91 26.48 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.505 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.09 30.27 72.04 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 141' ' ' ALA . 64.1 mt -105.33 134.27 48.71 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLN . . . . . 0.514 ' OE1' HG22 ' A' ' 20' ' ' VAL . 44.9 mt-30 -62.49 -42.72 99.69 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.631 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -63.75 141.71 97.98 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.03 104.04 0.32 Allowed 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 122.028 1.819 . . . . 0.0 111.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.41 -42.63 95.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.349 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.11 -42.14 86.98 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.63 -36.78 85.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.442 0.121 . . . . 0.0 111.092 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.72 -45.44 94.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -60.21 -44.14 95.4 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.408 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -65.97 -38.26 88.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.99 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.28 -41.54 97.12 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.402 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.95 -45.31 94.22 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.231 0.332 . . . . 0.0 110.857 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -66.7 -39.06 87.91 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.935 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.92 -39.66 95.23 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.467 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.83 -11.03 34.88 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 58.07 31.34 20.56 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.781 0.324 . . . . 0.0 111.235 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -71.4 -41.41 69.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.591 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.3 p -139.1 162.05 35.89 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.523 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -66.87 -39.23 87.47 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.676 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -137.48 147.75 45.51 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.312 0.383 . . . . 0.0 110.699 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.12 136.72 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.63 179.7 53.34 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -93.1 -38.7 11.46 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.531 -0.335 . . . . 0.0 110.797 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.53 -37.8 94.07 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.653 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -57.7 -59.7 12.21 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-O 118.962 -0.542 . . . . 0.0 110.722 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 42.3 Cg_exo -54.12 -39.07 87.38 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.686 1.591 . . . . 0.0 111.541 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 134' ' ' ALA . 92.5 t -62.61 -46.33 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.04 -45.28 94.23 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.415 0.447 . . . . 0.0 110.302 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.495 HD13 HG21 ' A' ' 49' ' ' ILE . 39.3 tp -62.5 -41.5 98.86 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.56 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ALA . . . . . 0.436 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -61.26 -38.36 86.44 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.989 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -65.59 -40.29 92.52 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.983 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.82 -44.07 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.166 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.33 -39.98 96.05 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.25 -41.17 98.2 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 84.9 t80 -61.43 -46.22 91.04 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.317 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.0 -41.67 96.98 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.396 0.435 . . . . 0.0 110.928 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.4 m -61.93 -45.28 94.37 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.401 0.438 . . . . 0.0 110.664 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.86 84.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.679 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -66.25 -42.67 88.22 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.352 0.407 . . . . 0.0 111.228 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.19 -42.98 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 O-C-N 123.424 0.453 . . . . 0.0 109.958 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.18 -40.58 97.93 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.794 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.48 -47.3 76.55 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.075 0.234 . . . . 0.0 110.716 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.42 ' CD1' HD11 ' A' ' 182' ' ' LEU . 77.3 mt -63.78 -41.61 97.92 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.52 81.51 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.337 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.39 -42.2 99.71 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -60.96 -44.7 96.95 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.539 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.52 91.42 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -62.21 -38.32 88.71 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.313 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -62.21 -38.86 90.77 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.355 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.48 -25.35 68.22 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -95.09 14.96 20.26 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.43 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 56.62 28.15 13.6 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.694 0.283 . . . . 0.0 111.356 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' LYS . . . . . 0.595 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 71.5 tttt -135.33 125.18 25.58 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.342 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 33.0 p -74.06 -33.92 63.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.213 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -62.14 148.51 44.18 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.225 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.49 128.5 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 13.3 pt -124.72 164.92 28.04 Favored Pre-proline 0 N--CA 1.474 0.734 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.168 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.35 -36.69 48.57 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 122.231 1.954 . . . . 0.0 112.065 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -63.83 -39.85 95.19 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.407 0.442 . . . . 0.0 109.965 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 53.3 m170 -65.8 -42.25 90.92 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.616 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.21 -42.65 99.49 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -65.24 -43.03 92.67 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 174' ' ' LEU . 5.5 tt -61.52 -43.35 99.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.597 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' ALA . . . . . 0.417 ' HA ' ' ND2' ' A' ' 178' ' ' ASN . . . -60.71 -44.74 96.22 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.507 0.504 . . . . 0.0 111.532 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 176' ' ' ILE . . . . . 0.608 HD13 ' CD1' ' A' ' 186' ' ' LEU . 96.2 mt -67.95 -43.49 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 O-C-N 123.419 0.45 . . . . 0.0 110.866 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -62.04 -35.78 79.62 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 175' ' ' ALA . 1.1 p30 -82.03 -15.82 52.31 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.238 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -100.84 114.87 29.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.277 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -60.94 -36.0 78.2 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.548 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -66.34 -47.22 74.19 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.326 0.391 . . . . 0.0 111.465 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' LEU . . . . . 0.584 ' HB3' HG23 ' A' ' 176' ' ' ILE . 73.7 mt -64.97 -40.22 94.66 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.211 0.32 . . . . 0.0 110.9 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -61.09 -40.43 93.69 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.365 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.96 -45.72 91.1 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.635 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.71 -42.7 85.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.885 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' LEU . . . . . 0.608 ' CD1' HD13 ' A' ' 176' ' ' ILE . 71.9 mt -96.98 21.27 9.95 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.973 -178.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -54.67 -40.2 69.93 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -108.24 29.65 7.14 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.622 0.249 . . . . 0.0 111.627 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 99.1 t -127.68 130.83 70.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 41.6 m -106.0 124.15 49.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.66 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 45.3 mm -68.26 -43.17 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.378 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -51.13 142.65 12.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.041 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 55.64 97.32 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.278 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 117.978 -1.457 . . . . 0.0 111.0 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.425 ' HG3' HG23 ' B' ' 3' ' ' ILE . 6.3 ptp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -110.97 126.98 55.34 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.425 HG23 ' HG3' ' B' ' 1' ' ' MET . 38.8 pt -131.94 160.55 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.286 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.25 132.43 56.62 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.581 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.45 113.5 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -101.26 151.63 21.64 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.107 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 70.1 p -125.88 162.12 25.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.498 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.17 -18.23 64.55 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.368 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.9 p -69.32 -21.49 63.84 Favored 'General case' 0 N--CA 1.44 -0.935 0 O-C-N 119.997 -1.69 . . . . 0.0 111.231 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.52 15.39 27.44 Favored Glycine 0 C--N 1.355 1.611 0 O-C-N 121.285 -0.884 . . . . 0.0 112.492 -172.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -101.71 138.41 38.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 117.017 0.408 . . . . 0.0 110.043 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.1 m -122.0 128.71 51.76 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.89 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.622 HD12 ' CD ' ' B' ' 33' ' ' LYS . 48.6 pt -125.67 138.96 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.277 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -80.22 132.65 35.91 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.769 0.795 . . . . 0.0 109.701 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 tp -138.13 135.41 35.71 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 119.339 -0.945 . . . . 0.0 110.525 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -109.37 115.52 30.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.026 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -137.17 157.65 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.993 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.28 151.07 42.52 Favored Pre-proline 0 CA--C 1.539 0.519 0 O-C-N 123.31 0.381 . . . . 0.0 110.672 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -56.49 -31.45 86.13 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 122.148 1.899 . . . . 0.0 112.331 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.6 p -79.13 -13.79 59.52 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -66.39 142.3 57.65 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.603 0.239 . . . . 0.0 110.665 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -81.14 161.39 24.09 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.932 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.4 mm -63.93 -42.02 94.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.504 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -54.81 -39.9 68.98 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.02 -40.95 99.27 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.32 0.388 . . . . 0.0 110.061 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.6 t -61.91 -43.69 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.401 ' CG ' HD11 ' B' ' 43' ' ' LEU . 98.0 mttt -60.69 -37.92 83.26 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.958 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.23 93.17 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.251 0.345 . . . . 0.0 110.491 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.1 -39.94 96.18 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.99 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.05 -41.72 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -56.04 -38.36 70.46 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -66.78 -35.56 80.36 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.983 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.622 ' CD ' HD12 ' B' ' 13' ' ' ILE . 63.7 mttp -78.4 -46.34 20.16 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -94.62 -38.2 10.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.91 29.82 22.27 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 124.72 1.153 . . . . 0.0 111.753 -170.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.5 mt -99.05 128.49 31.95 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.309 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.78 126.04 19.94 Favored 'Trans proline' 0 N--CA 1.503 2.049 0 C-N-CA 122.176 1.917 . . . . 0.0 111.416 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -55.54 -33.35 86.27 Favored 'Trans proline' 0 N--CA 1.505 2.154 0 C-N-CA 122.393 2.062 . . . . 0.0 112.912 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.497 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 25.9 t0 -64.99 -34.2 77.87 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.866 -1.146 . . . . 0.0 108.748 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -87.35 11.12 15.22 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 122.606 0.363 . . . . 0.0 111.662 -170.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -130.76 142.72 50.42 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.025 0.203 . . . . 0.0 110.981 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -115.16 144.0 44.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.849 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.404 ' HB3' HD12 ' B' ' 50' ' ' LEU . 78.1 mt -113.88 134.0 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.628 HD11 HD12 ' C' ' 676' ' ' LEU . 98.3 mt -126.35 139.43 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 O-C-N 123.372 0.42 . . . . 0.0 110.714 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -123.78 123.82 41.33 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.19 27.82 12.21 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.55 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.12 15.61 74.17 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 116.401 -0.363 . . . . 0.0 112.452 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -112.44 135.22 53.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 117.056 0.428 . . . . 0.0 110.052 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -60.33 148.25 37.65 Favored 'General case' 0 CA--C 1.517 -0.302 0 O-C-N 123.375 0.422 . . . . 0.0 110.669 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' B' ' 43' ' ' LEU . 82.0 mt -117.83 130.05 56.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -90.02 141.38 28.72 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.007 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -64.4 -39.18 93.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.676 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.64 3.33 49.9 Favored Glycine 0 CA--C 1.537 1.417 0 O-C-N 123.535 0.522 . . . . 0.0 113.073 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -105.02 159.74 15.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.364 0.582 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -101.74 163.24 12.36 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.655 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 70.4 mt -62.79 -40.79 98.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.592 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.8 p -59.82 -30.08 68.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.717 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.08 -31.51 72.76 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.192 0.308 . . . . 0.0 111.238 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -91.12 15.33 11.92 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.93 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 65.77 45.43 2.59 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.208 0.528 . . . . 0.0 111.265 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.9 mt -105.12 111.8 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . 0.403 ' O ' ' SD ' ' B' ' 1' ' ' MET . 95.6 mm-40 -99.49 -66.71 0.89 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.628 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -153.29 152.1 30.77 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 48.51 74.9 0.16 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.147 0.498 . . . . 0.0 111.041 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.1 p -120.74 148.25 44.22 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.066 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 27.2 m -105.72 124.04 48.92 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.38 0.425 . . . . 0.0 110.34 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.406 HD12 HD12 ' B' ' 3' ' ' ILE . 45.9 mt -114.92 124.85 52.74 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.822 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -87.58 144.76 26.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.013 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.2 tp -110.62 129.53 55.79 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 111.757 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.731 HG22 ' HB1' ' C' ' 673' ' ' ALA . 13.5 t -127.1 166.84 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.653 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.503 ' N ' HG12 ' B' ' 70' ' ' VAL . 13.9 tp -107.84 113.59 26.92 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.524 -178.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.497 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 42.2 ttm180 -81.12 134.73 35.7 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 57.3 mt -117.43 103.19 9.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.77 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -111.85 140.91 46.11 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.152 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.42 136.56 28.25 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -152.73 165.18 36.13 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.53 0.205 . . . . 0.0 110.632 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 96.1 mmm -122.95 149.73 43.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.567 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.12 138.3 5.13 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.411 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.13 -17.71 35.74 Favored 'Trans proline' 0 N--CA 1.503 2.053 0 C-N-CA 122.251 1.967 . . . . 0.0 112.899 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 655' ' ' VAL . . . . . 0.485 HG12 ' CE ' ' C' ' 659' ' ' MET . 50.2 t -62.58 -42.99 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 656' ' ' LEU . . . . . 0.429 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 27.0 mt -61.21 -42.46 98.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.469 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -63.45 -41.05 98.63 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 123.332 0.395 . . . . 0.0 110.179 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.06 -37.73 86.56 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.61 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 659' ' ' MET . . . . . 0.485 ' CE ' HG12 ' C' ' 655' ' ' VAL . 51.8 mtm -64.33 -38.48 91.18 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.619 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.74 -44.09 97.12 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.191 0.307 . . . . 0.0 110.439 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -66.71 -43.73 83.54 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.982 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.08 -39.74 94.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.292 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.52 -38.54 90.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -62.52 -42.46 99.53 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.152 0.282 . . . . 0.0 110.666 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -72.87 -41.59 64.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.216 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.01 -44.79 88.04 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.589 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -68.1 -32.59 73.01 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.568 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.37 -43.71 92.84 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.58 -38.87 92.51 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.308 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -63.29 -38.33 90.73 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.429 0.456 . . . . 0.0 110.887 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -63.02 -45.9 90.13 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.349 0.405 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 672' ' ' LEU . . . . . 0.497 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -65.37 -42.37 92.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 673' ' ' ALA . . . . . 0.731 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -61.56 -38.1 86.24 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.346 179.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 20.5 tp -61.6 -39.47 91.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.008 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.92 -42.58 99.26 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.429 0.455 . . . . 0.0 109.845 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 676' ' ' LEU . . . . . 0.628 HD12 HD11 ' B' ' 44' ' ' ILE . 87.1 mt -64.6 -42.93 95.23 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.17 -43.0 96.16 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.123 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -69.89 -41.54 74.61 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.418 0.449 . . . . 0.0 111.296 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 53.3 mtp -63.6 -44.41 94.07 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.303 0.377 . . . . 0.0 111.414 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.61 -39.76 84.74 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.692 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.92 -34.34 77.75 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.44 0.462 . . . . 0.0 110.518 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.65 -40.27 94.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.557 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.1 -40.26 94.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.836 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -65.94 -46.32 78.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -137.17 147.17 45.74 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 35.6 p -56.41 -44.5 80.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.662 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 10.8 p -144.87 150.36 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.793 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 40.3 t -113.27 131.43 55.92 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -107.75 141.68 38.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.336 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.24 96.44 4.59 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.44 -45.6 86.77 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.628 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 54.9 18.99 12.71 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 12.1 t -66.81 -42.8 85.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 694' ' ' VAL . . . . . 0.495 HG22 ' H ' ' C' ' 696' ' ' GLN . 11.7 p -123.26 131.66 72.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.443 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -118.64 22.21 12.14 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 696' ' ' GLN . . . . . 0.495 ' H ' HG22 ' C' ' 694' ' ' VAL . 12.5 pt20 -154.52 175.16 13.96 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.455 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -67.72 147.03 53.19 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 698' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 85' ' ' HIS . 21.6 tp -60.61 127.68 32.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.284 -179.153 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 74.8 mt -128.89 154.77 46.18 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -77.09 -12.34 59.93 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 74.4 m -57.94 -41.08 82.07 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 122.982 0.176 . . . . 0.0 110.79 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 22.6 t -73.19 104.91 4.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.813 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -97.18 18.36 15.14 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.259 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 10.9 tpp -63.07 -41.0 99.35 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.363 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 48.48 90.71 0.02 OUTLIER 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.789 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -97.52 118.93 6.23 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -110.51 140.0 45.2 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 62.7 tttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.266 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 72.3 ttp85 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.93 -41.88 98.45 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.354 0.409 . . . . 0.0 110.417 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 56.4 mp0 -92.74 177.31 6.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.132 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.9 t -119.17 81.9 1.78 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-O 121.222 0.534 . . . . 0.0 110.588 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -100.24 7.47 44.43 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.261 179.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.415 ' O ' ' HE2' ' A' ' 35' ' ' MET . 78.4 p -58.95 -42.14 89.11 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 120.973 0.416 . . . . 0.0 110.399 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.77 -41.98 85.72 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 87.9 m-85 -64.24 -43.66 94.22 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.019 -0.537 . . . . 0.0 112.133 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 14' ' ' SER . 10.5 p -64.09 -37.23 79.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -58.01 -42.35 85.06 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.107 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -61.68 -42.98 99.67 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.501 179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG13 ' CE2' ' C' ' 697' ' ' TYR . 94.0 t -59.75 -43.61 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.122 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.524 ' HA ' HG12 ' A' ' 24' ' ' VAL . 32.9 tp -60.63 -36.95 79.9 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.952 -179.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -66.08 -40.16 90.61 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.82 -178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.29 -35.79 54.78 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.938 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.8 p -77.94 -28.61 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.692 -178.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.05 89.7 0.23 Allowed Pre-proline 0 CA--C 1.552 1.03 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.426 -179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -54.27 -37.38 88.26 Favored 'Trans proline' 0 N--CA 1.505 2.151 0 C-N-CA 122.574 2.182 . . . . 0.0 113.039 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -57.54 -51.2 70.44 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 81.0 p -74.45 135.68 42.31 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 123.212 0.32 . . . . 0.0 110.936 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.24 177.5 18.13 Favored Glycine 0 C--N 1.336 0.58 0 N-CA-C 110.546 -1.022 . . . . 0.0 110.546 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 tt -133.58 137.62 52.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.809 0.338 . . . . 0.0 110.325 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.1 t -75.62 153.62 37.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.215 179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.1 p -60.62 -33.32 72.6 Favored 'General case' 0 N--CA 1.44 -0.973 0 O-C-N 121.591 -0.693 . . . . 0.0 110.585 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.7 tttm -67.39 -40.34 85.64 Favored 'General case' 0 C--N 1.349 0.577 0 C-N-CA 122.534 0.334 . . . . 0.0 110.49 176.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.413 ' HB1' HD11 ' A' ' 172' ' ' LEU . . . -63.23 -37.04 85.69 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.889 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.415 ' HE2' ' O ' ' A' ' 14' ' ' SER . 39.0 mtp -63.1 -42.55 99.62 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-O 120.943 0.402 . . . . 0.0 110.419 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.87 -38.71 96.99 Favored Glycine 0 CA--C 1.527 0.812 0 CA-C-N 115.289 -0.869 . . . . 0.0 110.947 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.16 -42.44 96.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.2 mmm -62.01 -36.23 80.92 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.246 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -61.74 -42.55 99.11 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.134 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.4 p -65.51 -33.84 76.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.405 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.81 -44.32 97.09 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.3 t -61.48 -44.41 98.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -62.92 -41.7 99.55 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.274 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -64.58 -45.0 88.87 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.474 -179.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.529 HG22 HD12 ' A' ' 49' ' ' ILE . 37.3 mm -64.74 -42.68 95.64 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.855 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -58.45 -45.43 88.59 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.019 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.8 mt-10 -63.11 -45.58 91.35 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -64.6 -46.19 83.71 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.21 0.319 . . . . 0.0 111.683 -178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.535 HG21 HD13 ' A' ' 140' ' ' LEU . 94.4 mt -66.92 -43.2 89.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 O-C-N 123.272 0.358 . . . . 0.0 110.27 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.84 -47.97 81.12 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.387 -178.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.83 -39.09 96.33 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -67.82 -41.68 82.67 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.92 -40.48 95.11 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.377 0.423 . . . . 0.0 110.545 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 81.3 p -61.07 -41.46 96.67 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.403 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -62.22 -41.99 98.89 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.502 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.86 -38.69 92.03 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.775 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.427 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -60.84 -39.52 89.4 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.457 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.1 m80 -65.16 -42.54 93.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.339 179.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -60.96 -40.65 94.19 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.462 0.476 . . . . 0.0 109.967 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -85.96 -1.7 57.57 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.974 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 58.39 29.79 18.7 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 120.751 0.31 . . . . 0.0 111.228 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.427 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 84.7 mtp180 -108.65 114.84 28.98 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.453 179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 58.5 m -64.4 -41.31 96.72 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.1 m -81.87 128.43 34.03 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.781 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 77.0 mt -87.3 134.09 28.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 43.0 p -127.58 175.3 8.37 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.93 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -56.64 -33.62 66.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.938 -179.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -60.1 -44.56 94.75 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -66.18 -42.12 89.32 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.114 0.259 . . . . 0.0 110.701 179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.733 HD11 ' HB1' ' A' ' 136' ' ' ALA . 84.3 mt -64.8 -42.37 94.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.223 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -55.22 -44.36 75.35 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.135 0.272 . . . . 0.0 111.229 -178.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.7 m -63.49 -45.06 92.47 Favored 'General case' 0 CA--C 1.531 0.226 0 O-C-N 123.272 0.358 . . . . 0.0 110.521 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.68 -38.03 89.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.843 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 70' ' ' ILE . 71.9 t -62.32 -45.29 99.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.486 -179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -64.28 -38.11 89.88 Favored 'General case' 0 C--O 1.233 0.221 0 O-C-N 123.254 0.346 . . . . 0.0 111.466 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.2 mt -67.78 -33.56 75.06 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.338 0.399 . . . . 0.0 111.989 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 73.1 mt -86.96 -36.81 18.09 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.533 HD23 ' HB3' ' A' ' 82' ' ' LEU . 4.6 mp -90.39 138.27 27.1 Favored Pre-proline 0 CA--C 1.552 1.021 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.49 ' HG2' HD13 ' A' ' 82' ' ' LEU . 8.4 Cg_endo -52.67 -175.28 0.02 OUTLIER 'Trans proline' 0 N--CA 1.503 2.074 0 C-N-CA 122.474 2.116 . . . . 0.0 111.721 178.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.09 -49.53 61.76 Favored Glycine 0 CA--C 1.534 1.234 0 CA-C-N 116.458 -0.337 . . . . 0.0 113.438 -178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -67.03 -46.63 73.87 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 116.917 0.359 . . . . 0.0 111.667 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.587 HD11 ' HD3' ' C' ' 700' ' ' ARG . 10.1 mp -65.6 -38.64 90.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.222 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.08 -43.18 99.27 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.595 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 54.9 tttp -62.28 -46.89 86.73 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.214 0.321 . . . . 0.0 110.682 -179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -66.35 -35.95 81.65 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.534 0.521 . . . . 0.0 110.941 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.29 -36.68 78.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.305 -179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 83' ' ' ALA . 98.3 t -60.83 -44.09 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.556 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 66.9 m -65.33 -37.39 86.93 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 -179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -65.8 -49.11 69.46 Favored 'General case' 0 C--N 1.344 0.328 0 C-N-CA 123.89 0.876 . . . . 0.0 111.817 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.404 ' O ' HG23 ' A' ' 94' ' ' VAL . . . -71.47 -42.33 56.16 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.902 -0.479 . . . . 0.0 111.902 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.9 m -61.31 -47.54 85.48 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 121.363 -0.135 . . . . 0.0 110.706 -179.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.38 -37.83 88.81 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.434 0.459 . . . . 0.0 111.153 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.45 -40.98 96.46 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 90' ' ' GLY . 97.6 t -67.56 -44.06 86.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.8 m -61.42 -44.79 96.52 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.158 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -61.34 -42.58 98.92 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.411 ' CZ ' ' HD3' ' A' ' 109' ' ' ARG . 38.6 t80 -60.85 -45.47 94.37 Favored 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 44.7 p -69.32 -33.51 73.27 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.565 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.5 t -66.18 -43.53 86.59 Favored 'General case' 0 CA--C 1.496 -1.097 0 C-N-CA 126.754 2.021 . . . . 0.0 110.198 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 12.6 m -59.95 134.86 57.44 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 122.354 0.262 . . . . 0.0 110.845 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.52 -58.56 1.88 Allowed 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.685 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 9.2 m -96.98 114.2 25.8 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.714 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 178.97 118.01 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.357 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 34.9 mttp -93.83 -12.28 29.36 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.707 179.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 34.5 m -100.37 130.87 46.53 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.7 mtt85 -64.12 -43.84 94.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.488 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 79.7 p -65.22 -43.44 91.51 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.037 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 t -66.23 -40.93 90.61 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.411 ' HD3' ' CZ ' ' A' ' 97' ' ' TYR . 71.6 ttt180 -66.12 -35.32 80.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.691 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.57 -31.74 32.47 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.273 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.61 29.51 43.36 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.752 -0.539 . . . . 0.0 111.752 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.5 mt -104.75 136.11 44.88 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 120.483 0.182 . . . . 0.0 110.56 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -63.07 -45.11 93.71 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.517 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -66.57 142.58 97.71 Favored Pre-proline 0 CA--C 1.543 0.7 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.744 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.85 101.88 0.16 Allowed 'Trans proline' 0 N--CA 1.501 1.95 0 C-N-CA 122.247 1.965 . . . . 0.0 111.858 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.39 -43.89 98.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.21 -39.56 96.12 Favored Glycine 0 CA--C 1.527 0.816 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -63.16 -39.81 95.74 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 110.633 -0.136 . . . . 0.0 110.633 -179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.93 -45.17 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -58.36 -42.04 86.05 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.569 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -66.13 -39.6 89.99 Favored 'General case' 0 C--N 1.333 -0.148 0 O-C-N 123.437 0.461 . . . . 0.0 111.184 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 68.2 mt -61.95 -40.0 94.05 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.391 -179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.9 mt -61.72 -44.43 96.93 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 123.255 0.347 . . . . 0.0 110.82 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 79.2 mtp85 -69.8 -39.3 76.66 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.933 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -63.47 -38.43 91.12 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.74 -8.38 20.91 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 111.895 -0.482 . . . . 0.0 111.895 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 59.4 25.28 13.98 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.976 0.388 . . . . 0.0 111.489 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 73.0 m-85 -68.91 -40.64 79.01 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.322 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 98.9 p -144.93 154.84 43.02 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.707 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -66.29 -38.72 88.41 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.052 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 92.8 mtt180 -129.19 147.07 51.0 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.94 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.55 134.49 64.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.6 177.15 53.16 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.61 -0.596 . . . . 0.0 111.61 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -92.2 -37.97 12.4 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.914 0.388 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -67.97 -22.03 73.8 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.826 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.784 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -71.03 -59.02 3.68 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-O 118.922 -0.561 . . . . 0.0 110.207 -179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.784 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 38.1 Cg_exo -55.01 -37.56 93.77 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 121.785 1.657 . . . . 0.0 110.93 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 134' ' ' ALA . 89.1 t -65.32 -44.88 94.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 13.9 t80 -62.15 -49.03 77.49 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.266 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.535 HD13 HG21 ' A' ' 49' ' ' ILE . 39.0 tp -63.49 -40.96 98.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.636 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -59.49 -41.0 88.83 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.726 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.27 -39.43 93.92 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.484 0.49 . . . . 0.0 110.594 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 83.7 t -64.92 -43.62 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 O-C-N 123.38 0.425 . . . . 0.0 110.167 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.74 -42.47 99.01 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.088 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -63.41 -39.53 94.75 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.255 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -62.6 -46.15 89.6 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.3 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 71.7 mt -62.67 -40.57 97.49 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.99 -179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.5 m -61.72 -45.13 95.26 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.698 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.6 -40.14 84.77 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.686 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 69.1 tt0 -63.83 -43.16 97.03 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.323 -178.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 85.5 mt -64.4 -43.31 97.02 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 123.319 0.387 . . . . 0.0 110.023 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.3 mt -63.33 -40.45 97.34 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.745 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.83 -45.6 85.46 Favored 'General case' 0 C--O 1.236 0.383 0 O-C-N 123.186 0.304 . . . . 0.0 110.497 -179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.425 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 58.1 mt -63.16 -40.8 98.61 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.26 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.4 -37.81 84.82 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.349 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.15 -40.7 98.91 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 50.4 m-80 -61.97 -43.88 97.92 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 121.146 -0.222 . . . . 0.0 110.415 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.04 -40.04 90.65 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.098 178.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.498 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -57.94 -45.21 86.97 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.026 179.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 78.8 mtp85 -61.35 -38.71 87.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.242 179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -63.68 -34.34 77.65 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.593 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -90.96 11.96 21.15 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.825 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 99.1 mttt 57.23 36.88 27.94 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 121.055 0.455 . . . . 0.0 111.401 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.498 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 98.9 mttt -127.8 136.0 50.87 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.574 179.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 22.0 p -88.78 -29.82 19.48 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.277 179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -82.29 146.04 29.65 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.183 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 69.5 mt -100.11 128.21 52.27 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.343 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.57 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 20.8 pt -123.41 164.67 26.77 Favored Pre-proline 0 CA--C 1.545 0.756 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.928 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -50.01 -33.77 35.56 Favored 'Trans proline' 0 N--CA 1.5 1.885 0 C-N-CA 122.263 1.975 . . . . 0.0 112.279 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -62.9 -42.0 99.63 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -66.69 -42.15 86.92 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.422 179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.413 HD11 ' HB1' ' A' ' 34' ' ' ALA . 64.7 mt -62.3 -44.8 95.66 Favored 'General case' 0 C--O 1.231 0.102 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.957 -179.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -67.33 -39.81 85.88 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.223 0.327 . . . . 0.0 110.775 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.9 tt -61.87 -42.34 98.94 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.655 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -63.76 -42.43 97.82 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.34 0.4 . . . . 0.0 111.27 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.58 HD13 HD13 ' A' ' 182' ' ' LEU . 41.5 mm -64.49 -43.27 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.112 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -74.23 -17.15 60.92 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.962 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -77.7 -18.37 56.68 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . 0.466 ' OD2' HD12 ' A' ' 182' ' ' LEU . 17.7 p-10 -126.8 129.69 48.82 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -67.03 -31.12 71.45 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 123.392 0.432 . . . . 0.0 111.727 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -57.87 -50.96 71.56 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.568 -178.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.58 HD13 HD13 ' A' ' 176' ' ' ILE . 44.2 mt -70.02 -34.99 73.99 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.214 0.321 . . . . 0.0 110.455 178.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -58.53 -41.76 86.26 Favored 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.396 0.435 . . . . 0.0 109.93 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -64.26 -43.18 95.66 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.48 -41.77 98.57 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.317 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 76.9 mt -100.07 19.71 15.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.138 -0.483 . . . . 0.0 112.116 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.32 -37.83 75.6 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -96.6 13.68 27.37 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 68.5 t -128.05 130.58 69.77 Favored 'Isoleucine or valine' 0 C--N 1.342 0.282 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 28.0 m -112.48 121.02 43.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.572 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 45.1 mm -62.18 -49.34 84.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.242 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -177.04 110.96 0.08 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.609 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -150.0 153.17 36.09 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.247 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.774 0 CA-C-O 117.991 -1.45 . . . . 0.0 111.057 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.8 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -126.14 147.79 49.54 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.902 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.494 HD12 HD12 ' B' ' 67' ' ' LEU . 45.4 pt -135.71 156.82 38.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 123.614 0.571 . . . . 0.0 109.858 178.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -110.87 127.85 55.58 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.0 t -110.04 115.76 50.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -104.38 151.04 23.96 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.816 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.4 p -116.66 161.7 18.8 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.552 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.7 mt -62.37 -18.92 62.75 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.884 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.2 p -69.39 -20.94 63.81 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 118.952 -2.342 . . . . 0.0 111.576 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.6 14.88 24.33 Favored Glycine 0 C--N 1.356 1.649 0 O-C-N 121.125 -0.984 . . . . 0.0 112.741 -172.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -100.47 151.19 21.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 117.148 0.474 . . . . 0.0 110.221 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 26.1 m -134.53 133.16 40.02 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.592 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.609 HD12 ' CD ' ' B' ' 33' ' ' LYS . 45.7 pt -127.4 135.03 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.419 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -84.16 141.85 30.76 Favored 'General case' 0 N--CA 1.432 -1.364 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 19.3 tp -139.59 133.13 30.3 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.549 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -101.32 114.52 28.59 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.396 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 m -142.03 159.89 20.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.174 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -104.55 161.62 22.3 Favored Pre-proline 0 CA--C 1.541 0.61 0 O-C-N 123.152 0.282 . . . . 0.0 110.427 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -57.54 -28.03 79.18 Favored 'Trans proline' 0 N--CA 1.501 1.955 0 C-N-CA 122.366 2.044 . . . . 0.0 112.465 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 34.2 m -82.35 -10.86 58.92 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -67.23 139.79 57.38 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 120.599 0.238 . . . . 0.0 110.665 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.51 HG22 HG22 ' B' ' 55' ' ' THR . 55.5 p -87.46 159.04 18.82 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.822 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 32.8 mm -64.78 -42.32 94.6 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.656 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -53.98 -41.1 67.53 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -62.14 -40.24 95.29 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.341 0.401 . . . . 0.0 109.998 178.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 59.9 t -64.74 -39.02 84.22 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.829 179.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -57.06 -44.26 82.85 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.785 -179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.23 -39.31 93.71 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.372 0.42 . . . . 0.0 110.858 179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -62.58 -40.9 98.35 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.499 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.468 HG22 ' NE2' ' B' ' 41' ' ' GLN . 87.2 mt -63.29 -42.3 95.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -56.05 -37.02 68.7 Favored 'General case' 0 C--O 1.223 -0.311 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -67.54 -38.59 84.4 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.968 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.609 ' CD ' HD12 ' B' ' 13' ' ' ILE . 67.9 mttm -76.71 -44.22 34.31 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 -178.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -89.6 -41.32 12.04 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 125.308 1.443 . . . . 0.0 114.226 178.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.66 21.88 52.18 Favored Glycine 0 C--N 1.352 1.456 0 C-N-CA 124.908 1.242 . . . . 0.0 111.576 -170.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 58.8 mt -102.23 139.04 19.91 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-O 119.201 -0.428 . . . . 0.0 110.079 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -49.61 138.05 32.6 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 C-N-CA 121.901 1.734 . . . . 0.0 112.06 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -65.03 -28.08 57.52 Favored 'Trans proline' 0 N--CA 1.501 1.926 0 C-N-CA 122.129 1.886 . . . . 0.0 112.578 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -69.23 -31.84 70.67 Favored 'General case' 0 N--CA 1.43 -1.439 0 C-N-CA 119.736 -0.786 . . . . 0.0 109.556 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.467 ' HA ' ' HB2' ' B' ' 72' ' ' ARG . 34.0 mt-30 -85.57 10.53 12.92 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.122 0.569 . . . . 0.0 111.449 -176.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.468 ' NE2' HG22 ' B' ' 30' ' ' ILE . 96.5 mt-30 -115.09 134.91 54.76 Favored 'General case' 0 C--N 1.347 0.465 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.855 HH12 HD22 ' C' ' 676' ' ' LEU . 8.2 mtt180 -119.35 133.52 55.68 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.681 178.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 84.3 mt -111.74 132.53 54.58 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.615 HD11 HD12 ' C' ' 676' ' ' LEU . 95.6 mt -124.54 141.19 45.48 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 123.499 0.5 . . . . 0.0 111.002 -178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -123.95 123.81 41.21 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.67 30.07 14.85 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.79 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.32 13.52 81.69 Favored Glycine 0 CA--C 1.538 1.472 0 CA-C-N 116.421 -0.354 . . . . 0.0 112.292 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.402 ' C ' HG23 ' B' ' 44' ' ' ILE . 48.9 mtmt -110.33 134.18 52.54 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 117.126 0.463 . . . . 0.0 110.081 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -62.19 149.88 40.39 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.385 0.428 . . . . 0.0 110.111 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -116.5 136.68 52.78 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.319 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -91.23 141.06 29.19 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.885 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -64.01 -41.16 97.55 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.852 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.27 -12.99 76.8 Favored Glycine 0 CA--C 1.534 1.226 0 CA-C-N 116.131 -0.486 . . . . 0.0 113.24 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -90.99 154.75 19.22 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.175 0.487 . . . . 0.0 111.278 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.51 HG22 HG22 ' B' ' 22' ' ' THR . 20.5 p -99.07 167.1 10.93 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.579 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.0 mt -62.21 -41.03 98.01 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.686 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -57.39 -30.39 64.87 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.8 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -61.55 -35.96 79.24 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.019 0.2 . . . . 0.0 111.302 -179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -91.05 10.25 27.48 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.843 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.4 t30 54.38 53.92 10.17 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.188 0.518 . . . . 0.0 111.186 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.0 mt -98.83 123.63 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -100.46 -174.63 2.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.686 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -59.29 148.75 30.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.243 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 58.61 81.88 0.15 Allowed 'General case' 0 C--O 1.238 0.488 0 CA-C-O 121.213 0.53 . . . . 0.0 110.023 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.6 t -128.97 153.32 47.67 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.405 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.4 m -114.87 127.22 55.58 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.295 0.372 . . . . 0.0 110.503 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.494 HD12 HD12 ' B' ' 3' ' ' ILE . 83.8 mt -122.21 136.94 54.98 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.915 179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 20.1 m80 -99.51 150.2 22.45 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.235 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 14.5 tp -112.06 134.46 53.6 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.728 HG22 ' HB1' ' C' ' 673' ' ' ALA . 14.9 t -127.73 164.75 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.477 ' N ' HG12 ' B' ' 70' ' ' VAL . 11.4 tp -107.36 126.04 51.96 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.467 ' HB2' ' HA ' ' B' ' 40' ' ' GLN . 71.7 mtt-85 -84.15 136.96 33.77 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.328 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' C' ' 680' ' ' PHE . 72.2 mt -121.66 107.67 12.64 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.834 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -144.35 149.36 36.03 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.608 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.7 90.61 0.76 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -66.02 -45.89 79.89 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.547 0.213 . . . . 0.0 110.486 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 99.4 mtp -66.66 -43.65 83.97 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 45.77 55.55 15.07 Favored Pre-proline 0 CA--C 1.562 1.404 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.507 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -69.88 -14.45 35.72 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.069 1.846 . . . . 0.0 112.935 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.418 HG12 ' CE ' ' C' ' 659' ' ' MET . 48.2 t -61.49 -41.56 90.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 -178.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.477 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 31.7 mt -60.34 -43.06 96.81 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.881 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -65.79 -40.64 92.13 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.159 0.287 . . . . 0.0 110.613 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -67.61 -39.04 84.76 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.016 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.477 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 73.5 mtm -64.09 -39.21 93.57 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.977 -179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.64 -44.93 92.42 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.246 0.342 . . . . 0.0 110.855 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -68.75 -44.23 74.18 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.988 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.08 -37.85 88.86 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.73 -40.64 97.85 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.239 0.337 . . . . 0.0 110.922 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -62.4 -43.17 99.45 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.205 0.316 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -72.61 -36.52 68.11 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.64 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -65.01 -45.24 86.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.084 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -65.13 -33.01 75.01 Favored 'General case' 0 CA--C 1.521 -0.135 0 O-C-N 123.619 0.574 . . . . 0.0 110.534 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -61.42 -46.39 90.33 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -68.17 -40.73 82.2 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -64.12 -40.1 95.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.483 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -64.54 -45.41 87.27 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.507 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.2 tm? -64.98 -42.82 94.2 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 178.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.728 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -61.04 -38.81 87.47 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.457 179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.87 -39.31 91.47 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.722 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.56 -43.04 99.81 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.096 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.855 HD22 HH12 ' B' ' 42' ' ' ARG . 95.8 mt -63.76 -41.12 98.05 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -63.26 -40.98 98.94 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.936 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 91.1 mtt180 -68.66 -41.79 78.83 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.41 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . 0.674 ' CE ' HD23 ' C' ' 676' ' ' LEU . 73.1 mtm -63.45 -42.43 98.64 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.209 0.318 . . . . 0.0 111.024 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.418 ' HB3' HD12 ' B' ' 73' ' ' LEU . 16.8 m-85 -62.49 -40.93 98.29 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.489 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -66.73 -34.0 76.87 Favored 'General case' 0 CA--C 1.529 0.159 0 O-C-N 123.467 0.479 . . . . 0.0 110.269 178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.27 -38.96 91.32 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.389 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -54.86 -35.17 63.75 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.342 0.401 . . . . 0.0 110.451 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.444 ' O ' ' HB2' ' C' ' 685' ' ' ARG . 60.6 mtp85 -60.19 -18.84 51.05 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.313 179.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . 0.444 ' HB2' ' O ' ' C' ' 684' ' ' ARG . 93.3 mtt-85 84.53 -18.58 0.4 Allowed 'General case' 0 N--CA 1.502 2.141 0 C-N-CA 124.046 0.938 . . . . 0.0 111.119 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 35.6 m -95.88 117.01 29.77 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.081 179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 10.3 p -124.68 132.23 71.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.789 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 11.5 p -101.03 144.37 30.03 Favored 'General case' 0 C--O 1.233 0.206 0 O-C-N 123.353 0.408 . . . . 0.0 110.965 179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -78.77 -47.55 16.54 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.487 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -148.23 120.22 8.22 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.443 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -133.14 144.51 49.95 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.71 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -167.24 127.15 1.53 Allowed Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 38.2 t -157.39 154.28 28.63 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.548 0.213 . . . . 0.0 110.56 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 59.9 t -114.74 127.99 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.662 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -109.28 110.01 21.08 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.092 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -141.72 165.54 27.2 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.125 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.4 ' CE2' HG13 ' A' ' 20' ' ' VAL . 28.4 m-85 -68.59 137.93 54.67 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.442 0.464 . . . . 0.0 109.936 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 24.7 tp -73.83 143.87 45.74 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.795 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 74.0 mt -129.38 152.94 48.38 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.3 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . 0.587 ' HD3' HD11 ' A' ' 82' ' ' LEU . 86.0 mtm180 -60.18 -43.6 95.74 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.731 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 27.9 t -117.47 141.1 48.74 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.752 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 44.6 t -144.44 140.45 28.98 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.67 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -119.66 105.41 11.15 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.611 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 96.2 mmm -64.34 -39.66 94.34 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.579 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -65.34 144.15 57.29 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.501 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 110.36 -8.36 30.68 Favored Glycine 0 CA--C 1.539 1.56 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.907 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . 67.22 -74.48 0.07 Allowed 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 117.387 0.593 . . . . 0.0 110.417 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 59.9 pttt . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.919 -1.038 . . . . 0.0 110.392 -179.532 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -98.26 155.56 17.13 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.528 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 89.1 mt-10 -88.79 130.22 35.41 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.811 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.9 p -79.93 105.27 11.08 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.281 -179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -96.93 18.49 14.54 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.134 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 17' ' ' VAL . 37.1 m -58.52 -42.4 87.67 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.906 0.384 . . . . 0.0 110.646 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.9 mt -68.18 -42.25 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.601 179.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -63.96 -43.41 95.86 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.927 -0.578 . . . . 0.0 112.01 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 14' ' ' SER . 13.7 p -64.61 -35.78 75.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -56.59 -43.35 79.99 Favored 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.257 0.348 . . . . 0.0 110.234 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -60.23 -43.59 95.92 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.48 0.487 . . . . 0.0 109.926 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.467 HG13 ' CE2' ' C' ' 697' ' ' TYR . 77.8 t -64.71 -41.8 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.558 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.546 ' HA ' HG12 ' A' ' 24' ' ' VAL . 28.9 tp -59.75 -36.6 76.96 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.653 -178.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.93 -37.03 85.92 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.489 -178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.53 -38.26 26.5 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -178.158 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.2 p -80.16 -32.9 13.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.653 -178.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -163.62 80.86 1.51 Allowed Pre-proline 0 CA--C 1.548 0.9 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.197 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.98 -33.38 42.16 Favored 'Trans proline' 0 N--CA 1.504 2.112 0 C-N-CA 122.229 1.953 . . . . 0.0 112.762 -179.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.63 -38.93 87.96 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.407 0.442 . . . . 0.0 111.791 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.7 m -91.93 131.88 36.92 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.514 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -98.41 177.31 30.84 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.469 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 16.3 tt -130.41 138.48 53.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 120.924 0.393 . . . . 0.0 110.067 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.3 p -75.53 157.04 34.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.196 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.9 m -61.32 -34.57 75.46 Favored 'General case' 0 CA--C 1.498 -1.044 0 C-N-CA 123.651 0.78 . . . . 0.0 109.969 -177.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -66.7 -41.08 88.6 Favored 'General case' 0 C--N 1.346 0.454 0 C-N-CA 123.294 0.638 . . . . 0.0 110.411 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 30' ' ' ILE . . . -63.22 -34.77 78.37 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 23.5 mtt -62.89 -42.93 99.95 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.343 0.402 . . . . 0.0 110.519 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.34 -41.96 99.32 Favored Glycine 0 CA--C 1.527 0.807 0 CA-C-N 115.52 -0.763 . . . . 0.0 111.491 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.74 -44.13 99.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.46 ' CE ' HG23 ' A' ' 148' ' ' THR . 27.2 mtp -64.71 -38.69 91.86 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.031 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.36 -42.35 98.89 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.153 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 82.9 p -68.04 -36.55 80.08 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.458 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -61.52 -44.28 97.35 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.735 179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 38' ' ' MET . 84.4 t -61.52 -45.29 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 -63.47 -40.67 97.73 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.322 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -59.42 -46.59 88.29 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.506 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.8 mm -66.55 -40.06 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.24 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.489 ' CD1' HD21 ' A' ' 140' ' ' LEU . 87.4 t80 -56.62 -46.33 81.02 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.768 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -65.23 -40.62 94.32 Favored 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.276 0.36 . . . . 0.0 111.88 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -64.99 -46.34 81.85 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.21 0.319 . . . . 0.0 111.712 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.504 HG21 HD13 ' A' ' 140' ' ' LEU . 94.4 mt -66.26 -42.89 91.69 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.47 -45.37 93.97 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.327 -178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.58 -45.41 93.1 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.534 -0.627 . . . . 0.0 111.534 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -65.89 -40.02 91.18 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.27 -40.42 93.88 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.338 0.399 . . . . 0.0 110.397 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -61.8 -42.82 99.5 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.282 179.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.9 mtt-85 -61.16 -41.93 97.64 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.324 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.3 mt -63.89 -41.59 97.67 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.496 0.498 . . . . 0.0 110.596 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.35 97.63 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.593 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -64.74 -43.51 93.12 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.972 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -62.11 -40.12 94.81 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.064 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -88.57 3.56 49.97 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 53.22 34.72 18.22 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-O 120.83 0.347 . . . . 0.0 111.344 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -89.77 122.92 33.31 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.458 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 27.7 p -69.56 -33.5 72.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.319 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.416 HG21 ' NH2' ' A' ' 131' ' ' ARG . 26.2 m -117.63 131.28 56.68 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.956 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 90.0 mt -81.61 133.83 28.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 37.5 p -125.53 178.02 5.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.049 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.7 p -56.19 -32.64 64.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.831 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -61.18 -43.86 98.21 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.147 0.279 . . . . 0.0 110.976 -178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.2 mp0 -65.65 -43.09 90.48 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.136 0.273 . . . . 0.0 110.469 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.464 HD11 ' HB1' ' A' ' 136' ' ' ALA . 91.9 mt -65.27 -41.56 91.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.891 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.442 HE22 HG22 ' A' ' 87' ' ' VAL . 65.5 tp60 -54.35 -45.45 72.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.627 -178.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 11.2 m -64.06 -43.4 95.58 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.224 0.328 . . . . 0.0 110.719 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.68 -39.65 94.85 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.858 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.78 -43.69 98.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.432 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -61.5 -38.93 89.11 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.282 0.364 . . . . 0.0 111.21 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.1 mt -77.82 -31.05 51.43 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 -179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.8 mt -81.26 -36.54 29.8 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -178.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.0 mp -97.9 149.31 35.59 Favored Pre-proline 0 CA--C 1.544 0.748 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -56.71 168.21 2.45 Favored 'Trans proline' 0 N--CA 1.499 1.83 0 C-N-CA 122.385 2.057 . . . . 0.0 111.697 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.6 -48.17 87.34 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 116.415 -0.357 . . . . 0.0 112.837 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -65.12 -45.85 83.4 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 116.864 0.332 . . . . 0.0 111.525 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.67 -36.69 85.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.371 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.58 -39.89 81.64 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.328 -178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -60.04 -45.82 91.55 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.139 0.274 . . . . 0.0 110.759 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -70.58 -36.22 73.46 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.31 0.381 . . . . 0.0 111.351 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.1 -36.99 78.64 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.26 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 83' ' ' ALA . 87.9 t -61.07 -43.43 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 123.275 0.359 . . . . 0.0 110.106 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 69.9 m -59.74 -47.97 83.54 Favored 'General case' 0 N--CA 1.428 -1.561 0 O-C-N 123.987 0.805 . . . . 0.0 109.012 -179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -62.88 -45.99 89.97 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 125.335 1.454 . . . . 0.0 111.824 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.43 -46.76 54.66 Favored Glycine 0 CA--C 1.529 0.937 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.1 m -63.4 -45.64 90.13 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.632 0.253 . . . . 0.0 110.697 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -61.89 -37.4 84.46 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.825 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.69 -41.84 98.08 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.198 0.311 . . . . 0.0 110.404 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.4 -45.76 92.18 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 109.508 -0.552 . . . . 0.0 109.508 179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 54.2 p -65.56 -40.24 92.6 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.922 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -61.3 -36.44 80.09 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.41 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -60.06 -49.68 76.68 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.8 m -70.93 -41.16 71.54 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 123.211 0.319 . . . . 0.0 111.699 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 p -76.87 -15.33 59.73 Favored 'General case' 0 CA--C 1.497 -1.062 0 C-N-CA 124.789 1.236 . . . . 0.0 111.504 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.7 t -51.53 -67.42 0.25 Allowed 'General case' 0 C--N 1.357 0.926 0 C-N-CA 123.427 0.691 . . . . 0.0 110.577 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 44.96 27.05 0.24 Allowed 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.866 0.365 . . . . 0.0 111.171 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 3.5 m -149.66 21.43 0.91 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.321 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.577 ' HB1' ' OG ' ' A' ' 108' ' ' SER . . . -136.92 151.5 49.13 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.296 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.0 mmtt -101.14 -45.73 5.28 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.061 -179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.4 p -82.48 163.15 21.78 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.826 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -66.33 -43.97 84.66 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.837 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 18.1 m -63.26 -41.85 99.09 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.938 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.577 ' OG ' ' HB1' ' A' ' 103' ' ' ALA . 39.8 p -62.48 -40.98 98.43 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.229 -179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.555 ' HG2' ' HB3' ' A' ' 103' ' ' ALA . 77.5 mtp85 -65.92 -35.45 80.65 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.797 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.32 -26.66 35.46 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.37 33.98 61.04 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.428 -0.669 . . . . 0.0 111.428 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 69.8 mt -108.22 134.22 51.37 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 120.61 0.243 . . . . 0.0 110.406 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -62.19 -44.07 97.41 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -63.42 141.33 97.84 Favored Pre-proline 0 CA--C 1.543 0.695 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.756 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.74 101.71 0.33 Allowed 'Trans proline' 0 N--CA 1.502 1.993 0 C-N-CA 122.144 1.896 . . . . 0.0 112.033 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.455 HG11 HG22 ' A' ' 138' ' ' VAL . 59.9 t -65.13 -43.47 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.235 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.92 -41.21 83.78 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -65.82 -35.48 80.81 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.509 0.155 . . . . 0.0 111.283 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.6 t -59.57 -44.8 94.0 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -60.2 -41.91 93.98 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.33 0.394 . . . . 0.0 110.766 -179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -66.41 -41.05 89.85 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.12 -41.27 96.41 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.598 -178.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 65.5 mt -60.69 -44.92 95.94 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.172 0.295 . . . . 0.0 110.692 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 61.2 ttp180 -67.96 -41.57 82.21 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.244 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -62.72 -40.71 98.03 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.489 0.493 . . . . 0.0 110.561 -179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.77 -4.07 31.36 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 121.31 -0.472 . . . . 0.0 111.968 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 63.6 t30 57.99 31.14 20.24 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.906 0.353 . . . . 0.0 111.5 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -64.9 -40.41 95.04 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.395 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 36.8 p -150.6 163.43 38.52 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.665 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.91 -40.12 91.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.936 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.416 ' NH2' HG21 ' A' ' 64' ' ' THR . 63.1 ttp85 -137.88 148.29 45.24 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.842 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 49.4 t -125.71 137.34 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.474 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -79.03 -177.95 50.32 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 111.559 -0.616 . . . . 0.0 111.559 -179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.472 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -93.73 -40.78 10.04 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 120.859 0.361 . . . . 0.0 110.888 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.35 -35.48 91.5 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.713 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.769 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -59.79 -60.06 11.82 Favored Pre-proline 0 CA--C 1.545 0.779 0 CA-C-O 118.887 -0.578 . . . . 0.0 110.654 -179.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.769 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 42.8 Cg_exo -53.72 -38.93 85.17 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.787 1.658 . . . . 0.0 111.411 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.472 HG23 ' O ' ' A' ' 134' ' ' ALA . 98.1 t -64.73 -44.15 96.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.432 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 143' ' ' VAL . 35.4 t80 -60.85 -48.39 82.03 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.824 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.504 HD13 HG21 ' A' ' 49' ' ' ILE . 35.4 tp -62.66 -41.75 99.23 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.775 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.84 -39.43 89.06 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.475 0.485 . . . . 0.0 111.072 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.94 -39.64 90.65 Favored 'General case' 0 C--O 1.234 0.276 0 O-C-N 123.318 0.386 . . . . 0.0 111.307 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 139' ' ' TYR . 92.9 t -62.16 -44.92 99.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.268 -179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.0 mt -62.32 -41.87 98.9 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.418 0.449 . . . . 0.0 110.812 -179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.407 ' OE1' HG21 ' A' ' 20' ' ' VAL . 14.2 tp10 -61.19 -38.9 88.19 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.344 179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -60.6 -48.54 81.33 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.401 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.76 -42.01 98.43 Favored 'General case' 0 C--N 1.334 -0.083 0 O-C-N 123.492 0.495 . . . . 0.0 110.932 -179.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.46 HG23 ' CE ' ' A' ' 38' ' ' MET . 19.8 m -59.64 -44.03 93.64 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.364 0.415 . . . . 0.0 110.919 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.19 97.06 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.385 0.428 . . . . 0.0 111.543 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 71.4 tt0 -70.08 -37.63 75.49 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.254 0.346 . . . . 0.0 111.364 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 16.2 mm -61.11 -45.22 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.462 HD22 HD13 ' A' ' 21' ' ' LEU . 89.1 mt -69.0 -39.76 79.14 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.389 0.431 . . . . 0.0 111.917 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.69 -48.69 78.16 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 123.179 0.3 . . . . 0.0 110.757 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.501 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 79.3 mt -64.62 -41.55 96.1 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.333 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.75 88.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.366 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -59.48 -41.54 97.18 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.31 -42.78 99.66 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.71 -38.58 91.47 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.039 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.32 -42.12 98.15 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.91 -0.587 . . . . 0.0 109.99 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 95.1 mtt180 -63.0 -38.09 89.78 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.203 179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -63.8 -33.73 76.34 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -89.84 9.71 26.46 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.69 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 57.31 34.34 24.59 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 120.872 0.368 . . . . 0.0 111.337 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -115.03 151.04 34.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.562 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 21.6 p -108.61 16.63 22.76 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.265 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 48.5 mtt85 -129.48 153.0 48.41 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.729 0.3 . . . . 0.0 110.727 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 67.7 mt -103.94 118.24 50.77 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.4 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 24.3 pt -119.39 166.46 14.5 Favored Pre-proline 0 CA--C 1.543 0.71 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.166 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 58.1 Cg_exo -51.46 -36.48 59.03 Favored 'Trans proline' 0 N--CA 1.5 1.902 0 C-N-CA 122.232 1.954 . . . . 0.0 112.266 -178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 74.8 ttt-85 -61.09 -42.36 98.38 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -66.38 -41.28 89.63 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.461 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.72 -44.15 97.47 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.464 0.478 . . . . 0.0 111.066 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -67.56 -42.17 83.04 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.204 0.315 . . . . 0.0 110.66 179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 8.4 tt -62.17 -43.77 98.09 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.898 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -61.45 -39.46 90.92 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 -179.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.417 HG22 ' OD1' ' A' ' 183' ' ' ASN . 97.4 mt -64.79 -43.6 96.44 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.007 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -61.59 -31.94 72.03 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.398 0.437 . . . . 0.0 111.213 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -75.68 -15.76 60.27 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 123.196 0.31 . . . . 0.0 111.573 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -110.95 114.96 28.67 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.813 -0.439 . . . . 0.0 109.813 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.38 -37.51 85.99 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.566 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.6 mp0 -63.31 -47.06 83.86 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.368 0.418 . . . . 0.0 111.093 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 68.5 mt -64.47 -39.16 93.29 Favored 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.228 0.33 . . . . 0.0 110.42 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . 0.417 ' OD1' HG22 ' A' ' 176' ' ' ILE . 91.8 m-20 -61.56 -41.75 97.83 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.245 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 56.3 tttp -63.68 -44.66 93.08 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.103 179.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.5 tp -64.68 -41.43 96.06 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.443 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 80.5 mt -98.58 20.75 12.3 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.157 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.23 -34.26 62.54 Favored Glycine 0 CA--C 1.529 0.921 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -96.25 4.38 52.41 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 111.792 0.293 . . . . 0.0 111.792 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 87.9 t -124.32 128.33 73.71 Favored 'Isoleucine or valine' 0 C--N 1.343 0.323 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 7.5 t -124.23 139.06 54.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.371 -0.831 . . . . 0.0 109.656 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 63.2 mt -120.43 128.83 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -142.35 176.39 9.03 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.578 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -57.3 121.96 11.4 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.14 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.704 0 CA-C-O 117.975 -1.458 . . . . 0.0 111.043 -179.773 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.1 ptt? . . . . . 0 N--CA 1.494 1.751 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -104.89 141.5 36.42 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.959 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.421 HD12 HD12 ' B' ' 67' ' ' LEU . 40.7 pt -131.75 156.59 42.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 123.642 0.589 . . . . 0.0 109.871 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -108.05 143.24 37.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.809 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 53.2 t -121.36 128.47 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -115.81 149.64 38.24 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.223 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 70.5 p -120.59 161.19 21.76 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.241 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.9 mt -64.37 -19.27 65.37 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 46.6 p -69.9 -24.1 63.35 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 119.973 -1.704 . . . . 0.0 111.281 176.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.28 7.93 34.24 Favored Glycine 0 C--N 1.357 1.712 0 CA-C-N 119.329 0.968 . . . . 0.0 112.656 -174.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -86.75 152.62 22.36 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 117.208 0.504 . . . . 0.0 110.458 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.9 m -133.26 126.3 31.18 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.23 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 45.5 pt -128.02 134.0 66.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 15.2 t -85.56 142.03 29.43 Favored 'General case' 0 N--CA 1.432 -1.341 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.68 HD11 ' HB3' ' B' ' 29' ' ' LYS . 15.9 tp -137.6 140.83 41.18 Favored 'General case' 0 C--N 1.346 0.44 0 O-C-N 122.062 -0.399 . . . . 0.0 110.782 -179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -111.88 117.14 31.95 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.338 0.399 . . . . 0.0 110.068 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.56 162.31 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.212 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -99.35 153.84 37.58 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.887 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.84 -36.07 98.59 Favored 'Trans proline' 0 N--CA 1.503 2.05 0 C-N-CA 122.311 2.007 . . . . 0.0 112.306 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 98.5 p -78.79 -12.42 60.02 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -179.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -65.95 139.42 58.25 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.703 0.287 . . . . 0.0 110.377 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 17.9 p -77.58 159.75 29.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.84 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 28.9 mm -62.51 -42.21 94.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.887 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -55.28 -39.63 70.07 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -64.33 -39.72 94.47 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.45 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -61.24 -44.14 97.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.694 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -60.29 -37.32 80.15 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.377 0.423 . . . . 0.0 111.143 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.42 -42.99 97.14 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.634 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.68 ' HB3' HD11 ' B' ' 15' ' ' LEU . 98.8 mttt -63.47 -39.7 95.15 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.234 179.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.423 HG22 HE22 ' B' ' 41' ' ' GLN . 89.1 mt -62.91 -41.85 94.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -37.58 68.64 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -64.99 -40.64 95.26 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.816 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -78.79 -42.79 26.97 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -178.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 64.7 mm-40 -84.92 -39.58 18.02 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 125.67 1.588 . . . . 0.0 113.561 178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.09 23.01 42.67 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 124.134 0.874 . . . . 0.0 112.029 -170.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 67.6 mt -107.18 136.59 19.49 Favored Pre-proline 0 CA--C 1.548 0.876 0 CA-C-O 119.259 -0.4 . . . . 0.0 109.987 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -53.76 130.64 40.04 Favored 'Trans proline' 0 N--CA 1.504 2.129 0 C-N-CA 122.222 1.948 . . . . 0.0 112.181 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.28 -29.84 54.69 Favored 'Trans proline' 0 N--CA 1.503 2.044 0 C-N-CA 122.194 1.93 . . . . 0.0 112.807 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 68.9 m-20 -66.57 -34.7 78.48 Favored 'General case' 0 N--CA 1.431 -1.417 0 C-N-CA 118.032 -1.467 . . . . 0.0 108.677 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -89.12 8.48 29.78 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.937 -171.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.423 HE22 HG22 ' B' ' 30' ' ' ILE . 80.2 mt-30 -107.28 142.35 37.19 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.24 0.459 . . . . 0.0 112.24 -178.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.7 mtt-85 -117.56 132.86 56.46 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.621 178.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 44.6 mt -110.34 136.47 49.47 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.608 HD11 HD12 ' C' ' 676' ' ' LEU . 89.5 mt -125.44 132.74 70.64 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.581 -178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -127.41 130.96 50.29 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 66.5 14.54 9.77 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 123.002 0.189 . . . . 0.0 111.016 -178.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.11 0.72 86.97 Favored Glycine 0 CA--C 1.538 1.514 0 CA-C-O 119.785 -0.453 . . . . 0.0 112.987 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -108.72 135.91 49.16 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -55.42 151.12 10.61 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.648 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -107.19 153.33 22.84 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.932 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -95.91 124.33 39.87 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.008 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -63.42 -35.23 79.73 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.004 -179.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.06 -17.05 80.29 Favored Glycine 0 CA--C 1.536 1.369 0 CA-C-N 116.07 -0.514 . . . . 0.0 113.405 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -91.49 162.65 14.46 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.29 0.545 . . . . 0.0 111.086 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 67.4 p -94.7 168.24 10.95 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.886 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.9 -41.65 99.51 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.3 p -59.22 -28.35 66.59 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.621 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -59.15 -36.27 74.96 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.145 0.278 . . . . 0.0 111.312 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -92.08 12.54 21.69 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 57.52 37.42 27.67 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 120.983 0.42 . . . . 0.0 111.353 179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 78.3 mt -73.21 130.77 35.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -108.14 -177.64 3.39 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.632 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -60.56 147.15 42.54 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.15 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 23.5 mp0 53.76 83.65 0.07 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.09 0.471 . . . . 0.0 110.378 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -129.62 142.29 50.77 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.431 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 23.9 m -99.96 123.63 44.42 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.547 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.421 HD12 HD12 ' B' ' 3' ' ' ILE . 83.8 mt -115.81 126.32 53.85 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.332 179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -85.16 147.13 26.77 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.433 0.458 . . . . 0.0 109.831 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 24.0 tp -113.32 134.09 54.8 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.139 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.565 HG22 ' HB1' ' C' ' 673' ' ' ALA . 21.7 t -132.36 162.52 39.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-N 115.207 -0.906 . . . . 0.0 108.617 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.475 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.1 tp -101.86 124.01 46.76 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -87.03 134.52 33.48 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.556 HD12 ' C ' ' C' ' 680' ' ' PHE . 43.2 mt -126.13 -4.38 6.83 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.73 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -62.13 -43.36 99.01 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 110.507 -0.182 . . . . 0.0 110.507 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -103.18 -176.67 26.49 Favored Glycine 0 C--N 1.337 0.637 0 N-CA-C 111.086 -0.805 . . . . 0.0 111.086 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.714 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -129.43 133.71 47.47 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.588 0.232 . . . . 0.0 110.614 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 96.5 mtp -99.79 21.11 12.98 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.179 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.02 -57.66 0.56 Allowed Pre-proline 0 CA--C 1.546 0.81 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.509 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -65.37 -19.61 61.59 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.21 1.94 . . . . 0.0 113.146 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.436 HG12 ' HE1' ' C' ' 659' ' ' MET . 50.3 t -63.41 -43.13 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.542 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 28.8 mt -61.2 -43.35 99.02 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 75.0 mtp180 -64.28 -39.04 93.12 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.185 0.303 . . . . 0.0 110.682 179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -67.63 -40.33 84.62 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.116 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.542 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 73.4 mtm -64.1 -40.37 96.08 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.435 0.46 . . . . 0.0 110.722 -179.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.57 -43.09 99.5 Favored 'General case' 0 N--CA 1.462 0.146 0 O-C-N 123.262 0.351 . . . . 0.0 110.634 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -62.37 -42.72 99.63 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.401 0.438 . . . . 0.0 110.941 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -63.59 -42.11 98.3 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.021 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 37.2 mt -62.99 -39.55 95.09 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.428 0.455 . . . . 0.0 111.058 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -61.63 -41.49 97.56 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.786 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -63.96 -39.04 93.24 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.412 0.445 . . . . 0.0 110.809 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -64.09 -45.26 89.44 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.399 0.437 . . . . 0.0 110.286 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.25 -32.59 74.1 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.473 0.483 . . . . 0.0 111.128 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -59.56 -46.52 88.65 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.79 -35.21 80.06 Favored 'General case' 0 C--O 1.225 -0.216 0 O-C-N 123.596 0.56 . . . . 0.0 110.285 179.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 74.8 mtp85 -65.72 -39.94 91.69 Favored 'General case' 0 C--N 1.341 0.237 0 O-C-N 123.381 0.426 . . . . 0.0 111.392 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -64.91 -47.22 78.55 Favored 'General case' 0 C--O 1.236 0.381 0 O-C-N 123.214 0.321 . . . . 0.0 110.439 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.487 ' C ' HD13 ' C' ' 672' ' ' LEU . 2.8 tm? -68.34 -40.48 81.53 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.162 0.506 . . . . 0.0 109.867 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.565 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -62.57 -38.85 91.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.305 179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.95 -36.59 81.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.641 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -62.54 -44.07 97.25 Favored 'General case' 0 C--N 1.341 0.206 0 O-C-N 123.55 0.531 . . . . 0.0 109.891 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.608 HD12 HD11 ' B' ' 44' ' ' ILE . 91.1 mt -63.82 -42.8 97.57 Favored 'General case' 0 C--N 1.346 0.414 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -60.37 -41.28 93.43 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.23 -179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -70.0 -43.53 71.19 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.34 0.4 . . . . 0.0 111.481 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 61.4 mtm -64.48 -44.73 90.07 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 123.324 0.39 . . . . 0.0 111.443 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.556 ' C ' HD12 ' B' ' 73' ' ' LEU . 31.3 m-85 -65.4 -41.7 93.4 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.886 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . 0.464 ' OD1' HD11 ' B' ' 73' ' ' LEU . 1.2 m-20 -68.05 -36.16 79.44 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.42 0.45 . . . . 0.0 110.639 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -65.5 -42.49 92.07 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.408 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -55.44 -35.03 65.0 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.473 ' CD ' HD13 ' B' ' 73' ' ' LEU . 78.8 mtm180 -60.5 -45.31 94.27 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.853 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 57.9 ttm-85 178.07 153.27 0.31 Allowed 'General case' 0 N--CA 1.472 0.653 0 O-C-N 123.52 0.513 . . . . 0.0 110.342 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 6.2 t -108.47 125.31 51.63 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.257 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 46.4 t -117.98 130.27 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.783 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 12.1 t -61.34 -42.42 98.66 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.506 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -56.32 126.0 24.37 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.2 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 78.9 ttt-85 -102.28 -43.21 5.77 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.604 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -96.85 139.7 32.5 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.601 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 164.87 121.17 0.55 Allowed Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 65.2 p -148.83 152.92 37.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.511 0.196 . . . . 0.0 110.656 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 35.5 m -136.55 161.27 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.542 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -71.23 150.78 44.94 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.672 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -60.37 -49.93 75.61 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.452 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.467 ' CE2' HG13 ' A' ' 20' ' ' VAL . 38.9 m-85 -119.64 136.38 54.42 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.334 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 19.2 tp -75.31 135.89 40.88 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 78.2 mt -117.01 154.12 31.47 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.32 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -60.47 -41.07 93.42 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.965 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 93.7 p -92.01 25.47 2.82 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.006 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 15.5 p -83.43 175.9 9.48 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.977 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 56.2 t30 57.53 47.82 15.48 Favored 'General case' 0 C--O 1.239 0.542 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.721 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 99.4 mtp -81.84 90.77 6.43 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.195 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -65.6 -36.15 82.89 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.116 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 81.4 9.81 85.38 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 111.71 -0.556 . . . . 0.0 111.71 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -144.57 147.54 33.29 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 116.872 0.336 . . . . 0.0 110.395 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 65.1 mttp . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.515 179.817 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 90.7 mtm-85 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -62.52 -43.71 98.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.772 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.2 mp0 -93.33 143.77 25.96 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.133 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 37.3 m -103.39 83.58 2.19 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.428 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -93.85 13.54 22.25 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.345 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.407 ' O ' HG12 ' A' ' 17' ' ' VAL . 87.3 p -58.0 -41.21 82.58 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-O 120.779 0.323 . . . . 0.0 110.153 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.61 -42.51 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 N-CA-C 109.21 -0.663 . . . . 0.0 109.21 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 78.1 m-85 -62.68 -45.2 93.9 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.93 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.407 HG12 ' O ' ' A' ' 14' ' ' SER . 9.4 p -63.48 -36.74 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 179.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -56.44 -42.65 78.48 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.851 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.33 -42.75 99.63 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.229 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.457 HG13 ' CE2' ' C' ' 697' ' ' TYR . 54.3 t -59.84 -43.85 92.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.82 -35.68 77.13 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.865 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -63.03 -39.17 93.96 Favored 'General case' 0 CA--C 1.537 0.451 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -75.0 -35.67 61.99 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.496 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 p -78.67 -42.11 25.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.822 -178.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -156.9 88.17 2.7 Favored Pre-proline 0 CA--C 1.55 0.962 0 O-C-N 123.376 0.423 . . . . 0.0 110.316 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -55.61 -37.78 94.89 Favored 'Trans proline' 0 N--CA 1.504 2.119 0 C-N-CA 122.565 2.177 . . . . 0.0 112.963 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -65.48 -40.14 92.77 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.5 p -69.54 134.87 49.36 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.883 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.07 166.77 12.33 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.548 -1.021 . . . . 0.0 110.548 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 tt -138.51 137.55 43.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.771 0.32 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.7 p -79.07 161.51 26.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.281 179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.4 m -62.63 -34.16 76.49 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 123.262 0.625 . . . . 0.0 109.941 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -67.23 -42.21 84.38 Favored 'General case' 0 C--N 1.347 0.475 0 C-N-CA 123.224 0.61 . . . . 0.0 110.153 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' HB2' ' HA ' ' A' ' 168' ' ' ILE . . . -63.74 -35.63 81.22 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.827 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.2 mtp -62.47 -40.57 97.08 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.96 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.61 -36.96 94.03 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.6 mm -61.23 -43.93 97.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 98.3 mmm -64.16 -37.08 86.17 Favored 'General case' 0 C--O 1.234 0.254 0 O-C-N 123.633 0.583 . . . . 0.0 110.297 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -60.72 -42.75 97.92 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.402 179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.5 m -62.57 -37.18 85.16 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.484 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -61.64 -45.3 94.62 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.5 t -61.82 -44.96 99.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 O-C-N 123.405 0.44 . . . . 0.0 109.873 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -63.13 -41.14 99.25 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.293 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -64.78 -44.55 89.63 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.497 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.558 HG22 HD12 ' A' ' 49' ' ' ILE . 37.2 mm -65.37 -42.54 93.85 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.233 -0.439 . . . . 0.0 109.965 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -57.61 -47.14 83.01 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.842 -179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -65.32 -44.27 88.36 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.74 -48.64 76.19 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.271 0.357 . . . . 0.0 111.668 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.558 HD12 HG22 ' A' ' 45' ' ' ILE . 96.7 mt -65.21 -42.98 95.44 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 O-C-N 123.347 0.405 . . . . 0.0 109.94 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.8 -43.7 81.21 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.224 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.17 -41.1 97.11 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -66.44 -42.41 87.7 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.543 -0.169 . . . . 0.0 110.543 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.98 91.99 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.449 0.468 . . . . 0.0 110.659 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.8 t -61.99 -43.31 99.11 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.464 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -62.99 -40.01 96.47 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.47 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.99 -40.4 97.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.706 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.539 ' HB2' ' OE1' ' A' ' 69' ' ' GLU . . . -61.58 -38.34 87.18 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.362 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 -64.99 -42.06 94.86 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.243 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -61.88 -42.4 99.02 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.88 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 84.5 m-20 -89.86 2.44 54.99 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.864 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.1 tttt 53.18 30.24 9.54 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 120.698 0.285 . . . . 0.0 111.069 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 32.9 ttm-85 -84.25 121.69 27.85 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.463 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 71.4 p -66.48 -38.26 86.91 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.416 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.3 m -109.57 129.49 55.57 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.971 -179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.4 mt -77.87 136.62 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.295 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 18.4 p -124.18 176.19 6.56 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.14 0.495 . . . . 0.0 111.562 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 57.9 m -57.87 -33.03 68.25 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.677 -179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -60.34 -41.06 92.81 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.227 0.33 . . . . 0.0 111.005 -178.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.539 ' OE1' ' HB2' ' A' ' 57' ' ' ALA . 48.3 mt-10 -66.48 -43.92 84.12 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.273 0.358 . . . . 0.0 110.337 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.514 ' O ' HG23 ' A' ' 74' ' ' VAL . 86.6 mt -64.68 -42.49 95.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.026 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -56.74 -43.36 80.62 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.963 -178.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -62.92 -45.21 93.55 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.211 0.319 . . . . 0.0 110.385 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.8 92.35 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.707 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 70' ' ' ILE . 73.6 t -63.67 -45.24 98.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.475 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -63.69 -39.26 93.87 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.159 0.287 . . . . 0.0 111.542 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.0 mt -71.67 -33.35 68.78 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 112.176 0.436 . . . . 0.0 112.176 -178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.7 mt -85.03 -36.56 21.18 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -178.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 78' ' ' LEU . 8.8 mp -95.3 140.32 22.35 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -55.24 -179.88 0.07 OUTLIER 'Trans proline' 0 N--CA 1.505 2.151 0 C-N-CA 122.477 2.118 . . . . 0.0 111.669 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.46 -47.31 88.48 Favored Glycine 0 CA--C 1.531 1.072 0 CA-C-N 116.351 -0.386 . . . . 0.0 112.979 -178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.24 -48.51 75.53 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.7 0.25 . . . . 0.0 111.578 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.432 HD22 ' HD3' ' C' ' 700' ' ' ARG . 4.5 mm? -66.6 -40.39 88.82 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.343 -179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -60.57 -40.43 91.66 Favored 'General case' 0 C--O 1.232 0.156 0 O-C-N 123.381 0.426 . . . . 0.0 111.576 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -60.26 -45.76 92.15 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.234 0.334 . . . . 0.0 110.691 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -68.69 -37.56 79.66 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.456 0.473 . . . . 0.0 111.241 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.64 -39.19 90.44 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 83' ' ' ALA . 97.9 t -62.85 -43.24 98.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 O-C-N 123.337 0.398 . . . . 0.0 110.206 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.1 t -62.89 -49.16 75.92 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 -178.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.79 -45.99 80.35 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 123.664 0.785 . . . . 0.0 112.279 -177.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.61 -47.2 50.92 Favored Glycine 0 CA--C 1.531 1.06 0 C-N-CA 121.349 -0.453 . . . . 0.0 112.637 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 74.1 m -63.88 -48.57 76.16 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-O 120.435 0.16 . . . . 0.0 111.118 -179.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -66.11 -34.6 78.41 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.204 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.1 -42.01 84.76 Favored 'General case' 0 C--O 1.233 0.219 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 99.7 t -65.82 -45.38 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 11.1 m -61.29 -41.99 97.9 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.142 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.42 -41.34 93.74 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -62.31 -45.48 93.02 Favored 'General case' 0 CA--C 1.533 0.298 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.6 p -68.35 -35.2 77.4 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.234 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 61.5 m -72.82 -53.12 12.35 Favored 'General case' 0 CA--C 1.497 -1.078 0 O-C-N 119.677 -1.89 . . . . 0.0 111.715 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -62.73 138.57 58.54 Favored 'General case' 0 C--N 1.356 0.86 0 CA-C-O 120.692 0.282 . . . . 0.0 110.979 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.61 -29.59 1.52 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.774 179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 78.2 p -63.13 -33.26 75.08 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.592 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.597 ' HB3' ' HG2' ' A' ' 109' ' ' ARG . . . -65.77 132.02 47.7 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.091 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -99.74 -13.23 19.38 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.514 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.4 m -103.48 148.0 26.47 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.316 0.246 . . . . 0.0 110.429 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.28 -42.29 99.08 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.985 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.0 p -68.63 -36.83 79.14 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.625 179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 68.0 m -63.1 -41.03 99.29 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.881 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.597 ' HG2' ' HB3' ' A' ' 103' ' ' ALA . 82.8 mtt85 -64.34 -34.8 78.99 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.607 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.49 -26.84 29.86 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.387 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 70.04 40.48 72.74 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 62.0 mt -117.2 136.93 52.69 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.41 -0.219 . . . . 0.0 110.41 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -62.95 -42.8 99.93 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.359 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -63.71 143.14 98.06 Favored Pre-proline 0 CA--C 1.544 0.724 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.74 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.417 ' O ' HG23 ' A' ' 119' ' ' VAL . 34.2 Cg_endo -65.99 102.63 0.55 Allowed 'Trans proline' 0 N--CA 1.5 1.896 0 C-N-CA 122.191 1.927 . . . . 0.0 112.157 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.465 HG11 HG22 ' A' ' 138' ' ' VAL . 86.3 t -64.1 -42.05 94.39 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.381 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.35 -42.46 95.63 Favored Glycine 0 CA--C 1.532 1.099 0 N-CA-C 111.852 -0.499 . . . . 0.0 111.852 -178.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -64.87 -36.51 84.57 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.544 0.172 . . . . 0.0 111.38 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 115' ' ' PRO . 98.2 t -59.39 -44.05 91.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -59.88 -46.4 89.45 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.293 0.371 . . . . 0.0 111.019 -179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 82.0 mtm180 -64.19 -38.42 91.0 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.804 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.79 -41.83 98.23 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.572 -179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.8 mt -61.27 -44.55 97.05 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 123.27 0.356 . . . . 0.0 110.831 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -65.79 -36.69 84.24 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.616 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -63.0 -40.21 97.09 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.179 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.12 -7.98 15.52 Favored Glycine 0 CA--C 1.54 1.609 0 N-CA-C 111.831 -0.508 . . . . 0.0 111.831 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 57.07 29.63 16.84 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.961 0.381 . . . . 0.0 111.544 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -65.16 -42.9 93.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.271 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 85.2 p -142.21 166.14 25.5 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.633 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -66.18 -38.11 87.23 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -137.58 156.68 47.81 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.961 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.1 t -131.5 136.5 57.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.92 176.48 54.64 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.521 -0.632 . . . . 0.0 111.521 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -86.08 -42.67 13.73 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.52 -0.34 . . . . 0.0 110.701 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.75 -29.86 75.19 Favored Glycine 0 CA--C 1.531 1.071 0 N-CA-C 111.62 -0.592 . . . . 0.0 111.62 179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.481 ' HB3' ' CD ' ' A' ' 137' ' ' PRO . . . -59.4 -61.44 7.84 Favored Pre-proline 0 CA--C 1.545 0.758 0 CA-C-O 119.181 -0.438 . . . . 0.0 110.815 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.481 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 19.2 Cg_endo -60.05 -32.33 94.69 Favored 'Trans proline' 0 N--CA 1.501 1.931 0 C-N-CA 121.855 1.704 . . . . 0.0 111.81 179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 134' ' ' ALA . 90.8 t -65.58 -45.12 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -61.9 -47.04 86.75 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.096 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 41.6 tp -62.16 -42.9 99.71 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.518 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.44 -39.37 87.28 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.97 -41.06 95.78 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.291 0.37 . . . . 0.0 110.816 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 66.2 t -66.12 -43.46 92.16 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.96 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.99 -41.93 98.58 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.677 -179.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -61.13 -43.77 98.37 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.43 0.456 . . . . 0.0 110.144 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -62.69 -46.66 87.13 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.203 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 41.0 mt -61.56 -40.29 94.21 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.031 -179.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.7 m -63.05 -45.23 93.21 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.399 0.437 . . . . 0.0 110.936 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.01 89.53 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.705 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -67.94 -42.22 81.34 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.217 0.323 . . . . 0.0 111.613 -178.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 94.6 mt -64.22 -43.41 97.28 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.094 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 87.3 mt -61.95 -40.21 94.78 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.561 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.558 ' CD ' HD22 ' C' ' 699' ' ' LEU . 21.2 tt0 -60.87 -45.76 93.27 Favored 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.219 0.324 . . . . 0.0 110.434 -179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.655 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 59.6 mt -64.52 -39.99 94.79 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.433 179.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.493 ' HB2' HD23 ' A' ' 172' ' ' LEU . . . -60.59 -38.02 83.27 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.569 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.84 -40.44 97.3 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -61.56 -44.26 97.36 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 121.284 -0.166 . . . . 0.0 110.621 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.89 -38.35 86.11 Favored 'General case' 0 N--CA 1.464 0.229 0 O-C-N 123.294 0.371 . . . . 0.0 110.145 178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.766 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -60.08 -42.36 94.4 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.045 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.06 -37.97 87.02 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.287 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -63.84 -34.64 78.37 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.528 179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -90.79 7.11 41.41 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.588 179.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 19.0 tttm 56.77 33.65 23.35 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 120.868 0.366 . . . . 0.0 111.242 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.766 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 98.3 mttt -126.61 116.74 21.49 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.649 179.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 41.1 p -68.96 -32.66 72.4 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.083 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 69.9 mtt-85 -70.0 145.61 51.66 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.622 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 63.0 mt -107.94 122.46 62.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.442 ' HA ' ' HB2' ' A' ' 34' ' ' ALA . 25.4 pt -122.62 163.67 31.28 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.035 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -46.92 -36.81 20.91 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 C-N-CA 122.288 1.992 . . . . 0.0 112.399 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 74.3 ttp85 -62.55 -43.21 99.38 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 43.1 m170 -64.07 -45.01 90.63 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.506 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.493 HD23 ' HB2' ' A' ' 155' ' ' ALA . 63.6 mt -61.65 -40.81 96.22 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.906 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -63.19 -42.85 99.41 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.351 0.407 . . . . 0.0 110.452 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 70.0 mt -63.59 -41.65 98.34 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.036 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.655 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -60.82 -43.95 97.53 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.077 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 90.7 mt -64.94 -43.64 96.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -62.21 -32.61 73.29 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.439 0.462 . . . . 0.0 111.312 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -75.75 -11.64 60.03 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 123.269 0.356 . . . . 0.0 111.613 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -112.47 115.8 29.24 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -64.46 -36.48 84.31 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.529 -179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.8 mp0 -65.16 -45.5 84.69 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.347 -179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.99 -38.1 85.41 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.99 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -59.24 -43.15 92.38 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.462 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -63.29 -42.58 99.1 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.165 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.7 tp -64.18 -41.28 97.16 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.484 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 78.5 mt -98.76 19.26 15.15 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 112.093 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.98 -41.19 84.2 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 86.8 mtm-85 -96.61 13.23 28.92 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 111.747 0.277 . . . . 0.0 111.747 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 64.8 t -120.05 128.22 75.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 30.5 m -110.12 121.3 44.94 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.799 179.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 45.5 mm -63.24 -47.53 91.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.952 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . 178.52 98.46 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.714 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -146.15 156.26 43.3 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.095 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.678 0 CA-C-O 117.919 -1.489 . . . . 0.0 110.88 -179.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.7 tp60 -102.64 129.73 49.32 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.671 179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -135.89 147.04 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 O-C-N 123.719 0.637 . . . . 0.0 110.063 178.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -107.77 141.78 38.8 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.0 t -123.27 128.59 74.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -114.09 151.37 32.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.36 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.7 p -119.57 162.1 19.49 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.38 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 92.5 mt -63.61 -19.31 64.75 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.952 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 45.2 p -70.07 -24.7 63.28 Favored 'General case' 0 N--CA 1.441 -0.909 0 O-C-N 119.708 -1.87 . . . . 0.0 111.488 175.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.22 15.51 19.39 Favored Glycine 0 C--N 1.357 1.736 0 O-C-N 121.001 -1.062 . . . . 0.0 112.644 -174.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -95.51 153.21 17.82 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 117.099 0.449 . . . . 0.0 110.112 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -127.3 130.27 49.23 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.204 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.419 HD11 ' HD2' ' B' ' 33' ' ' LYS . 13.4 tt -127.04 134.63 65.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.7 179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -85.06 133.18 34.24 Favored 'General case' 0 N--CA 1.433 -1.324 0 N-CA-C 108.798 -0.815 . . . . 0.0 108.798 177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 tp -143.86 138.68 28.8 Favored 'General case' 0 C--N 1.351 0.655 0 O-C-N 121.903 -0.498 . . . . 0.0 110.757 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -111.45 119.56 39.2 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.622 179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.478 HG11 HG22 ' B' ' 26' ' ' VAL . 34.1 m -136.33 161.32 37.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.169 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -97.99 152.07 37.87 Favored Pre-proline 0 CA--C 1.544 0.737 0 O-C-N 123.234 0.334 . . . . 0.0 110.72 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -56.38 -31.16 84.26 Favored 'Trans proline' 0 N--CA 1.502 2.002 0 C-N-CA 122.432 2.088 . . . . 0.0 112.599 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.3 m -81.95 -12.89 58.14 Favored 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -67.24 143.83 56.28 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 120.668 0.27 . . . . 0.0 110.614 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 22.0 p -82.11 160.74 23.07 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.856 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mm -64.6 -41.69 92.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.626 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -56.16 -39.76 72.81 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.303 0.377 . . . . 0.0 110.16 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -63.47 -41.48 98.59 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.297 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.478 HG22 HG11 ' B' ' 17' ' ' VAL . 93.8 t -62.63 -46.38 96.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.852 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.4 -36.28 81.85 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.777 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.93 89.86 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.319 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -63.53 -40.06 96.04 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.068 179.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.19 -42.78 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -57.55 -36.77 72.07 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -67.43 -35.39 79.16 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.179 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.419 ' HD2' HD11 ' B' ' 13' ' ' ILE . 99.6 mttt -87.3 -35.39 18.47 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -177.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -92.07 -40.7 10.92 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 127.017 2.127 . . . . 0.0 114.747 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.63 30.36 27.14 Favored Glycine 0 C--N 1.352 1.436 0 C-N-CA 125.113 1.34 . . . . 0.0 112.141 -169.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 84.1 mt -113.01 123.42 33.64 Favored Pre-proline 0 CA--C 1.55 0.964 0 CA-C-O 119.086 -0.483 . . . . 0.0 109.756 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -44.7 133.77 10.2 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 122.036 1.824 . . . . 0.0 112.36 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -65.75 -29.11 51.26 Favored 'Trans proline' 0 N--CA 1.501 1.966 0 C-N-CA 122.184 1.923 . . . . 0.0 112.485 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -67.83 -31.38 71.18 Favored 'General case' 0 CA--C 1.495 -1.156 0 O-C-N 120.181 -1.574 . . . . 0.0 109.133 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -83.96 10.76 9.06 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 122.046 -0.409 . . . . 0.0 111.545 -175.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -128.22 139.52 52.41 Favored 'General case' 0 C--N 1.346 0.435 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 81.2 mtt-85 -117.69 136.03 53.62 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.703 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -103.69 130.45 51.17 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.437 HD11 HG21 ' B' ' 70' ' ' VAL . 87.0 mt -116.99 133.66 63.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.053 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -126.61 124.58 40.24 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 177.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 60.85 27.75 17.55 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.399 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.89 14.96 78.66 Favored Glycine 0 CA--C 1.537 1.408 0 N-CA-C 112.105 -0.398 . . . . 0.0 112.105 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.406 ' O ' ' HA ' ' B' ' 44' ' ' ILE . 25.7 mtpt -117.28 130.74 56.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 117.166 0.483 . . . . 0.0 110.031 179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -68.58 159.24 32.32 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.503 0.502 . . . . 0.0 110.054 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 78.8 mt -122.65 138.99 54.43 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 64.6 tt0 -88.2 144.85 26.21 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.591 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -65.53 -25.65 67.54 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 116.163 -0.471 . . . . 0.0 112.079 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -86.51 -1.64 85.59 Favored Glycine 0 CA--C 1.536 1.345 0 CA-C-O 119.791 -0.449 . . . . 0.0 113.17 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -103.56 161.54 13.8 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 117.363 0.581 . . . . 0.0 111.04 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 37.2 p -103.29 164.58 11.55 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.665 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.0 -42.44 99.85 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.234 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 35.0 m -59.06 -29.22 67.16 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.606 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -58.7 -37.82 76.95 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.085 0.241 . . . . 0.0 111.327 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -92.76 11.78 25.74 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 53.07 56.69 7.18 Favored 'General case' 0 C--O 1.239 0.544 0 CA-C-O 121.097 0.475 . . . . 0.0 111.024 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.1 mt -95.47 126.69 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -90.05 -175.14 4.47 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.904 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -68.23 147.2 52.56 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.077 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 54.74 86.8 0.05 OUTLIER 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.281 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.2 t -130.85 148.72 52.66 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.339 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 16.1 m -97.41 118.68 34.43 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.212 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 45.0 mt -111.27 124.23 51.81 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.962 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -85.68 147.69 26.24 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.081 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.5 tp -111.49 133.95 53.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 112.024 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.477 HG12 ' N ' ' B' ' 71' ' ' LEU . 22.8 t -132.42 162.24 40.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.364 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.617 178.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.477 ' N ' HG12 ' B' ' 70' ' ' VAL . 12.7 tp -107.35 115.05 29.48 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.675 -178.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -80.9 131.96 35.4 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.653 HD13 ' HD3' ' C' ' 684' ' ' ARG . 34.5 mt -110.15 -20.67 12.6 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.58 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -62.44 -40.93 98.19 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.619 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -102.44 -171.21 26.93 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.75 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 -179.861 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -90.67 140.24 29.96 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.692 0.282 . . . . 0.0 110.801 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 76.9 mtm -84.43 -4.8 59.13 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.048 179.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.38 -57.62 14.79 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-O 119.264 -0.398 . . . . 0.0 110.875 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -61.97 -23.6 75.99 Favored 'Trans proline' 0 N--CA 1.507 2.322 0 C-N-CA 122.43 2.087 . . . . 0.0 113.131 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.32 -43.97 97.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 61.5 mt -61.26 -44.14 97.72 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.011 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -66.93 -39.16 87.25 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.092 0.245 . . . . 0.0 110.702 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -65.46 -40.66 93.47 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.014 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 75.0 mtm -63.82 -39.2 93.67 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.69 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -61.99 -40.44 95.66 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.291 0.369 . . . . 0.0 110.287 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.49 -43.06 95.34 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.471 0.482 . . . . 0.0 110.834 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.05 -40.62 95.01 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.213 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 24.2 mt -61.48 -40.9 96.25 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.696 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -62.14 -41.65 98.48 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.372 0.42 . . . . 0.0 110.221 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -70.33 -33.93 72.08 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.553 0.533 . . . . 0.0 110.824 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -64.13 -45.76 87.16 Favored 'General case' 0 C--N 1.34 0.161 0 O-C-N 123.34 0.4 . . . . 0.0 110.337 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.97 -35.34 80.86 Favored 'General case' 0 C--N 1.331 -0.221 0 O-C-N 123.579 0.55 . . . . 0.0 111.125 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 49.6 tp10 -60.89 -47.08 88.04 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -66.73 -34.23 77.39 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.182 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 73.6 mtp85 -64.36 -37.29 87.0 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.349 0.405 . . . . 0.0 111.11 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -65.63 -48.3 72.69 Favored 'General case' 0 C--O 1.236 0.391 0 O-C-N 123.18 0.3 . . . . 0.0 110.245 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.506 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -67.3 -41.76 84.83 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.455 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -61.31 -38.4 86.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.051 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 24.5 tp -62.06 -36.87 82.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.597 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -62.16 -43.98 97.63 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . . . . . . . . . 84.3 mt -64.03 -43.45 95.55 Favored 'General case' 0 C--N 1.344 0.339 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -59.98 -42.78 94.94 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.964 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -69.63 -39.84 76.9 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.323 0.389 . . . . 0.0 111.26 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 62.3 mtp -63.06 -44.33 96.12 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.021 -179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.596 ' C ' HD12 ' B' ' 73' ' ' LEU . 26.5 m-85 -68.03 -40.4 82.91 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.606 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -67.5 -34.69 77.65 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.591 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -61.23 -40.08 92.68 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.733 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -59.61 -34.79 73.21 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.263 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.653 ' HD3' HD13 ' B' ' 73' ' ' LEU . 66.5 mtm180 -65.89 -37.03 85.03 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.712 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 62.95 108.34 0.03 OUTLIER 'General case' 0 C--O 1.235 0.29 0 O-C-N 123.876 0.735 . . . . 0.0 110.966 -179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 5.0 t -144.84 151.56 38.94 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.391 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 35.8 m -119.03 -18.33 6.3 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.016 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 13.7 p -63.86 145.3 56.07 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.816 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -138.82 48.59 1.9 Allowed 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.398 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 86.0 mtm-85 -97.96 47.32 1.01 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.783 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.68 -40.26 96.54 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.575 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 80.31 152.67 8.19 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 11.3 t -63.02 -47.28 83.74 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.634 0.254 . . . . 0.0 110.512 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 14.4 p -160.71 151.8 4.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.966 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -121.5 -69.12 0.85 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.951 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 58.09 -87.36 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.258 0 O-C-N 123.144 0.278 . . . . 0.0 110.344 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.457 ' CE2' HG13 ' A' ' 20' ' ' VAL . 40.0 m-85 -151.65 161.63 42.35 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 122.628 0.371 . . . . 0.0 110.33 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 6.7 mp -79.14 142.47 36.34 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.557 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . 0.558 HD22 ' CD ' ' A' ' 153' ' ' GLU . 79.8 mt -134.17 160.07 38.97 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.49 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . 0.432 ' HD3' HD22 ' A' ' 82' ' ' LEU . 79.1 mtm180 -85.21 42.69 0.96 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.543 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 36.3 m -60.72 -41.14 94.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.559 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 14.3 m -60.8 150.66 31.99 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.477 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -142.61 173.59 11.4 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.619 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 65.0 mtt -79.51 146.69 32.54 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.411 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 62.03 120.14 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.534 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 101.13 -18.77 53.86 Favored Glycine 0 CA--C 1.535 1.312 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -65.92 140.89 58.37 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.641 0.221 . . . . 0.0 110.608 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 86.8 tttt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.317 179.873 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -117.84 153.68 33.09 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.149 0.281 . . . . 0.0 110.534 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 56.01 22.82 6.15 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.166 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t -122.1 102.07 7.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.206 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -133.23 28.99 4.05 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.893 -179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.457 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.8 p -60.56 -42.83 97.38 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 121.037 0.446 . . . . 0.0 111.277 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mm -71.16 -42.3 75.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.045 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.428 ' CZ ' ' HG3' ' A' ' 115' ' ' PRO . 96.5 m-85 -63.99 -43.18 96.49 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.994 -179.256 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 14' ' ' SER . 14.7 p -62.17 -37.37 78.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -59.23 -40.79 87.0 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.959 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -60.65 -40.93 93.83 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.011 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.5 t -59.65 -42.85 89.77 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' HA ' HG12 ' A' ' 24' ' ' VAL . 28.0 tp -61.5 -35.86 78.88 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.464 0.477 . . . . 0.0 110.649 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -62.25 -39.03 91.51 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 111.949 0.351 . . . . 0.0 111.949 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -79.42 -36.03 39.62 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 123.208 0.317 . . . . 0.0 111.145 -178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 21' ' ' LEU . 1.8 p -78.69 -33.4 16.68 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.778 -178.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.16 90.13 0.27 Allowed Pre-proline 0 CA--C 1.549 0.918 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.131 -179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -67.84 -29.39 35.16 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.264 1.976 . . . . 0.0 113.162 -179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -64.68 -42.19 95.52 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.918 -178.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.2 p -77.49 142.34 39.16 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.72 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.07 172.27 19.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.0 tt -134.95 142.36 40.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-O 120.852 0.358 . . . . 0.0 110.387 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.9 m -78.48 152.54 32.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.438 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.0 p -62.1 -34.04 75.57 Favored 'General case' 0 N--CA 1.438 -1.031 0 C-N-CA 122.971 0.508 . . . . 0.0 110.281 -177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -67.54 -45.63 75.13 Favored 'General case' 0 C--N 1.348 0.507 0 C-N-CA 122.894 0.478 . . . . 0.0 110.264 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.19 96.96 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttm -62.52 -44.4 96.45 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.404 0.44 . . . . 0.0 110.4 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.95 -39.46 97.32 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.404 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.28 -42.61 96.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.1 mmm -62.12 -37.07 83.7 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -61.15 -43.52 98.76 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.353 0.408 . . . . 0.0 110.169 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -64.32 -36.56 84.53 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.377 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE2' HD21 ' A' ' 186' ' ' LEU . 61.1 t80 -62.7 -45.79 91.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.347 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.6 t -60.18 -47.19 93.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -65.62 -40.24 92.38 Favored 'General case' 0 CA--C 1.531 0.231 0 O-C-N 123.375 0.422 . . . . 0.0 111.234 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -61.44 -45.59 93.67 Favored 'General case' 0 N--CA 1.465 0.323 0 O-C-N 123.348 0.405 . . . . 0.0 111.387 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.492 HG22 HD12 ' A' ' 49' ' ' ILE . 36.3 mm -63.15 -40.85 90.61 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.5 t80 -55.99 -46.76 78.6 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.516 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -63.88 -44.93 91.55 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.537 ' NH2' HD11 ' A' ' 185' ' ' LEU . 56.6 ttp180 -63.58 -45.84 88.57 Favored 'General case' 0 CA--C 1.534 0.346 0 O-C-N 123.153 0.283 . . . . 0.0 111.43 -178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.492 HD12 HG22 ' A' ' 45' ' ' ILE . 94.9 mt -64.64 -43.13 96.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 O-C-N 123.319 0.387 . . . . 0.0 110.222 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.409 ' HB3' ' CZ ' ' A' ' 128' ' ' TYR . . . -58.96 -39.23 81.09 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 -178.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.73 -42.99 94.97 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -67.19 -40.15 86.48 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.73 -41.27 96.09 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.387 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 64.5 p -61.17 -43.05 99.5 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.175 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -61.66 -40.27 94.34 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.344 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.38 -39.7 95.24 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.563 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.14 87.4 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.191 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -63.16 -43.61 97.8 Favored 'General case' 0 C--O 1.233 0.2 0 O-C-N 123.399 0.437 . . . . 0.0 110.174 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -60.92 -42.14 97.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.842 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -88.04 0.83 55.47 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.97 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt 54.6 31.91 16.02 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.663 0.268 . . . . 0.0 111.278 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 96.8 mtt-85 -95.32 122.11 37.68 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.45 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 24.0 p -68.97 -40.44 78.83 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.363 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.3 m -98.61 135.49 40.05 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.698 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.426 HD11 ' HB3' ' A' ' 129' ' ' SER . 79.5 mt -93.71 137.89 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 27.9 p -126.92 176.98 6.9 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.213 0.53 . . . . 0.0 111.083 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.6 m -55.08 -32.65 62.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.934 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -60.6 -44.1 96.65 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 53.3 mp0 -66.75 -42.84 85.53 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.146 0.279 . . . . 0.0 110.489 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.683 HD11 ' HB1' ' A' ' 136' ' ' ALA . 89.0 mt -64.14 -41.83 93.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.967 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -55.79 -43.05 76.44 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.631 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.0 m -63.53 -45.29 91.26 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.235 0.334 . . . . 0.0 110.489 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.51 -42.66 98.48 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.817 -179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 70' ' ' ILE . 97.5 t -62.15 -45.03 99.66 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.503 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.61 -38.25 90.34 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.357 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.8 mt -72.41 -34.07 67.59 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 112.115 0.413 . . . . 0.0 112.115 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.8 mt -82.9 -37.94 23.56 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.767 0.655 . . . . 0.0 112.767 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.8 mp -89.67 151.21 45.47 Favored Pre-proline 0 CA--C 1.542 0.655 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -58.11 161.58 13.23 Favored 'Trans proline' 0 N--CA 1.5 1.883 0 C-N-CA 122.355 2.037 . . . . 0.0 111.166 178.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.38 -47.87 66.98 Favored Glycine 0 CA--C 1.531 1.093 0 CA-C-O 119.922 -0.377 . . . . 0.0 112.933 -177.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 67.3 mt-10 -66.78 -43.08 84.9 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.924 0.362 . . . . 0.0 111.708 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 181' ' ' GLU . 4.5 mm? -64.63 -39.49 93.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.495 -179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.656 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.27 -38.15 85.71 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.842 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -59.05 -47.43 85.25 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.178 -0.209 . . . . 0.0 111.139 -178.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.402 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 68.9 m80 -70.56 -40.97 73.04 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.264 0.352 . . . . 0.0 111.473 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.58 -38.76 88.71 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.467 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 83' ' ' ALA . 71.1 t -62.9 -42.07 95.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 O-C-N 123.36 0.413 . . . . 0.0 110.348 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -61.45 -42.11 98.26 Favored 'General case' 0 N--CA 1.429 -1.477 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 -178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.463 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 36.5 mt-10 -67.45 -44.3 79.0 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 123.332 0.653 . . . . 0.0 112.025 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.66 -46.47 61.49 Favored Glycine 0 CA--C 1.527 0.791 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.801 -179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.5 m -62.26 -46.31 89.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.48 0.181 . . . . 0.0 110.647 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -63.35 -37.21 86.38 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.747 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.36 -39.82 84.45 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 86.1 t -66.8 -42.38 89.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.1 m -61.6 -41.04 96.87 Favored 'General case' 0 C--O 1.226 -0.159 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.056 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -60.49 -41.75 94.92 Favored 'General case' 0 N--CA 1.465 0.314 0 O-C-N 123.422 0.451 . . . . 0.0 109.786 179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 61.4 t80 -62.4 -45.88 91.13 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.9 p -68.06 -35.67 78.59 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.68 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.2 m -80.53 -20.88 42.52 Favored 'General case' 0 N--CA 1.437 -1.087 0 C-N-CA 126.124 1.769 . . . . 0.0 111.223 178.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 29.9 t -58.78 140.78 54.52 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 118.096 0.407 . . . . 0.0 110.773 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -138.2 150.35 46.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.413 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.1 m 57.21 18.45 4.22 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.278 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 109' ' ' ARG . . . -82.13 156.71 24.36 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.37 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -134.95 -11.03 2.29 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.76 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 29.7 m -116.87 136.96 52.54 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -59.92 -43.87 94.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.958 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.5 p -65.37 -38.73 90.93 Favored 'General case' 0 C--O 1.232 0.161 0 O-C-N 123.36 0.412 . . . . 0.0 110.835 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 57.7 m -61.93 -40.88 97.01 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.4 0.438 . . . . 0.0 111.143 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 103' ' ' ALA . 95.9 mtt-85 -62.82 -33.65 75.68 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.833 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.455 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -84.98 -32.03 23.22 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.172 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.46 26.47 63.35 Favored Glycine 0 CA--C 1.532 1.151 0 N-CA-C 111.54 -0.624 . . . . 0.0 111.54 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' A' ' 141' ' ' ALA . 72.5 mt -105.45 135.61 46.52 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-O 120.492 0.187 . . . . 0.0 110.502 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -62.57 -41.37 98.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.693 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -62.57 137.19 96.33 Favored Pre-proline 0 CA--C 1.545 0.77 0 O-C-N 123.513 0.508 . . . . 0.0 110.763 -179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.428 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 33.3 Cg_exo -59.34 104.26 0.2 Allowed 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.07 1.847 . . . . 0.0 112.014 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.438 HG11 HG22 ' A' ' 138' ' ' VAL . 83.6 t -65.42 -42.66 93.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.373 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.2 -41.15 92.65 Favored Glycine 0 CA--C 1.53 0.989 0 N-CA-C 111.826 -0.51 . . . . 0.0 111.826 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.93 -38.1 89.84 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.537 0.169 . . . . 0.0 111.25 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.71 -45.01 94.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -59.42 -41.49 89.62 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.374 0.421 . . . . 0.0 110.686 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -65.05 -41.25 95.35 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.413 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.9 -41.17 97.58 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.681 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.1 mt -61.71 -43.33 99.07 Favored 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.298 0.373 . . . . 0.0 111.042 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -69.27 -41.89 76.28 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.902 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -64.25 -39.93 94.96 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.448 0.467 . . . . 0.0 110.226 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.07 -8.7 11.7 Favored Glycine 0 CA--C 1.538 1.527 0 O-C-N 123.366 0.416 . . . . 0.0 112.141 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 63.7 t30 59.15 30.02 19.7 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.998 0.399 . . . . 0.0 111.351 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.409 ' CZ ' ' HB3' ' A' ' 50' ' ' ALA . 67.3 m-85 -64.93 -40.89 95.73 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.472 178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.426 ' HB3' HD11 ' A' ' 65' ' ' ILE . 87.7 p -149.81 166.96 27.91 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.533 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 46.5 tp10 -65.08 -38.9 92.23 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.59 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -136.33 152.43 50.66 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.369 0.418 . . . . 0.0 111.041 -179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 46.7 t -130.59 137.57 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 179.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -81.37 172.08 53.55 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.585 -0.606 . . . . 0.0 111.585 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.47 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -87.18 -38.48 16.35 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.965 0.412 . . . . 0.0 110.856 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.16 -34.05 88.62 Favored Glycine 0 CA--C 1.532 1.113 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.768 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -56.8 -60.79 8.37 Favored Pre-proline 0 CA--C 1.548 0.89 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.314 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.768 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 40.4 Cg_exo -54.0 -36.17 83.29 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 121.805 1.67 . . . . 0.0 111.258 178.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 134' ' ' ALA . 93.0 t -62.37 -45.88 97.74 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 109.465 -0.568 . . . . 0.0 109.465 179.347 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -61.9 -47.8 83.35 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.192 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 29.6 tp -62.32 -40.7 97.19 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.804 -179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.477 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -57.97 -42.88 85.97 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.788 -179.121 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.463 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -65.19 -40.16 93.83 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.426 0.454 . . . . 0.0 110.958 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 91.0 t -63.24 -45.01 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.252 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.81 -40.71 96.19 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.355 0.409 . . . . 0.0 110.969 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -62.43 -37.48 86.03 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.429 0.455 . . . . 0.0 110.346 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.402 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 68.0 t80 -61.82 -48.23 81.53 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.471 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 65.4 mt -62.7 -43.14 99.57 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.325 0.391 . . . . 0.0 111.369 -179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 19.7 m -63.37 -45.69 89.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.137 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.42 -41.51 84.73 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 112.173 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 69.8 tt0 -68.22 -42.3 79.99 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.582 -178.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 77.1 mt -63.56 -43.47 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 O-C-N 123.26 0.35 . . . . 0.0 110.059 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.74 -40.19 96.47 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.461 0.475 . . . . 0.0 111.452 -179.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -65.47 -43.18 91.06 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.258 0.349 . . . . 0.0 110.746 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.681 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 69.7 mt -63.33 -40.64 97.88 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.238 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -63.52 -37.52 87.61 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.344 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -60.8 -40.57 98.37 Favored Glycine 0 C--N 1.336 0.579 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -64.67 -42.68 95.21 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 121.245 -0.182 . . . . 0.0 110.53 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -60.2 -46.7 88.85 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.489 -0.559 . . . . 0.0 109.489 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.07 -35.59 80.93 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.981 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -60.05 -42.0 93.52 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.743 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -65.54 -22.49 66.71 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.82 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -96.92 13.36 29.1 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.518 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 62.1 mttp 58.62 35.12 24.33 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.958 0.408 . . . . 0.0 111.2 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -124.6 139.1 54.19 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.722 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 20.8 p -98.5 -17.5 18.7 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.35 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 51.7 ttt85 -82.69 144.14 30.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.388 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 66.4 mt -103.8 127.96 57.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 22.8 pt -131.11 165.21 36.76 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.037 -179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -50.83 -33.19 40.09 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 122.104 1.87 . . . . 0.0 112.015 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -61.38 -43.07 99.49 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -66.49 -40.45 89.29 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.291 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.2 mt -61.7 -42.66 99.23 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 68.2 tp60 -65.37 -40.95 94.17 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 123.368 0.417 . . . . 0.0 110.482 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 40.4 mt -62.65 -42.55 99.66 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.455 0.472 . . . . 0.0 111.062 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.681 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -64.18 -46.46 83.86 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.374 0.421 . . . . 0.0 111.246 -179.511 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 186' ' ' LEU . 93.8 mt -65.43 -44.12 94.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -65.48 -33.15 75.26 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.79 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -76.31 -16.5 59.75 Favored 'General case' 0 CA--C 1.535 0.404 0 O-C-N 123.192 0.308 . . . . 0.0 111.58 -179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -107.59 116.21 31.54 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 70.8 tt0 -62.25 -42.1 99.03 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.55 -178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.408 ' HB3' HD23 ' A' ' 82' ' ' LEU . 41.4 mm-40 -61.72 -48.39 80.97 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.181 0.301 . . . . 0.0 111.419 -178.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 73.4 mt -62.93 -36.29 82.91 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.514 179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 75.8 m-20 -59.54 -37.85 79.49 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.992 179.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.03 -44.4 96.03 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.212 0.32 . . . . 0.0 110.417 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.537 HD11 ' NH2' ' A' ' 48' ' ' ARG . 28.9 tp -65.8 -41.22 92.17 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.789 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.564 HD13 HD13 ' A' ' 176' ' ' ILE . 77.6 mt -100.11 20.89 13.69 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 115.936 -0.575 . . . . 0.0 112.026 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -57.23 -38.03 84.0 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.311 -0.715 . . . . 0.0 111.311 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -95.58 17.2 15.29 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.703 0.261 . . . . 0.0 111.703 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 89.7 t -123.61 128.26 74.43 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 27.5 m -119.04 111.21 18.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.428 -0.805 . . . . 0.0 109.548 178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 67.2 mt -91.67 -40.89 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.036 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -83.04 121.53 27.14 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.607 -179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -71.63 -39.65 70.26 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.5 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.736 0 CA-C-O 118.029 -1.428 . . . . 0.0 110.9 -179.84 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.7 ptt? . . . . . 0 N--CA 1.494 1.747 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -102.77 129.98 49.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.995 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.0 pt -131.71 157.67 43.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.593 -0.731 . . . . 0.0 109.977 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -110.37 142.75 41.62 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.937 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 60.8 t -122.14 129.31 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -118.79 151.07 38.73 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.91 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 70.5 p -122.37 164.19 18.42 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.513 -179.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.86 -25.19 67.07 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.406 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 73.3 p -69.11 -19.38 64.05 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 120.226 -1.546 . . . . 0.0 111.186 178.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.15 12.23 37.05 Favored Glycine 0 C--N 1.354 1.529 0 O-C-N 121.515 -0.74 . . . . 0.0 112.638 -172.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -89.75 132.57 35.13 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 117.133 0.467 . . . . 0.0 110.087 179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.2 m -120.49 126.8 51.28 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.017 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.545 HD12 ' CD ' ' B' ' 33' ' ' LYS . 47.7 pt -127.5 136.15 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.724 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p -83.08 141.55 31.93 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 tp -144.52 136.15 25.72 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.852 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -108.9 118.19 36.15 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.927 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.01 161.53 35.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.227 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -100.13 141.95 23.71 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-O 119.369 -0.348 . . . . 0.0 111.15 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -56.93 -19.12 30.63 Favored 'Trans proline' 0 N--CA 1.505 2.201 0 C-N-CA 122.146 1.897 . . . . 0.0 112.864 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.0 m -88.89 2.44 53.75 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -179.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -81.23 174.58 11.4 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 120.717 0.294 . . . . 0.0 110.943 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -107.91 154.19 21.96 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.268 178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mm -61.75 -40.6 87.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.695 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 68.2 tt0 -54.93 -44.26 74.11 Favored 'General case' 0 C--O 1.236 0.387 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -62.44 -40.07 95.41 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.337 178.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.69 -43.82 95.8 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-N 115.925 -0.579 . . . . 0.0 109.666 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -58.3 -38.57 77.34 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.442 0.464 . . . . 0.0 110.86 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.15 -37.91 87.02 Favored 'General case' 0 C--O 1.237 0.396 0 O-C-N 123.346 0.404 . . . . 0.0 110.324 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 64.9 mttp -63.0 -39.66 95.42 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.962 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 44.1 mm -63.16 -41.35 92.46 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.184 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.496 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -56.09 -37.62 69.6 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -65.28 -41.26 94.35 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.542 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.545 ' CD ' HD12 ' B' ' 13' ' ' ILE . 64.5 mttp -88.21 -29.3 20.59 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 -178.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -91.85 -41.01 10.86 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 119.792 -1.817 . . . . 0.0 113.942 175.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.07 27.73 39.75 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 -171.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 57.5 mt -116.11 136.81 23.06 Favored Pre-proline 0 CA--C 1.546 0.82 0 CA-C-O 119.15 -0.452 . . . . 0.0 109.912 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -46.17 129.89 13.24 Favored 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 121.949 1.766 . . . . 0.0 112.23 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -55.13 -37.46 94.11 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.114 1.876 . . . . 0.0 112.732 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.97 -36.49 83.65 Favored 'General case' 0 N--CA 1.431 -1.403 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -80.37 11.23 3.76 Favored 'General case' 0 CA--C 1.537 0.465 0 O-C-N 121.9 -0.5 . . . . 0.0 111.24 -174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -117.68 134.03 55.32 Favored 'General case' 0 C--N 1.345 0.384 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 74.1 mtt-85 -116.98 128.4 55.15 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 178.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.4 mt -101.57 126.79 48.44 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.587 HD11 HD12 ' C' ' 676' ' ' LEU . 78.3 mt -118.93 130.29 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.66 -178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.446 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 81.8 t80 -129.78 125.61 36.21 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 70.67 18.42 6.35 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 123.326 0.391 . . . . 0.0 110.844 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 87.22 12.79 67.13 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-O 119.715 -0.491 . . . . 0.0 112.812 179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.427 ' N ' HG23 ' B' ' 44' ' ' ILE . 51.9 pttt -128.87 135.28 48.88 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -62.78 175.27 0.86 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.366 0.416 . . . . 0.0 110.501 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.418 HD23 ' CZ ' ' B' ' 59' ' ' TYR . 74.3 mt -125.61 147.44 49.31 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.497 0.498 . . . . 0.0 110.994 -179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 73.2 tt0 -89.45 137.85 31.96 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.739 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -64.34 -36.48 84.26 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.466 0.479 . . . . 0.0 112.088 -178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -78.54 11.57 24.94 Favored Glycine 0 CA--C 1.534 1.275 0 O-C-N 123.491 0.494 . . . . 0.0 113.248 -178.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -119.91 158.12 27.34 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 117.441 0.62 . . . . 0.0 111.07 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 78.1 p -100.11 167.95 10.13 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.769 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 99.4 mt -64.21 -39.57 94.25 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.539 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.0 p -59.1 -29.03 67.06 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.764 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -62.77 -34.01 76.35 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.183 0.302 . . . . 0.0 111.114 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.418 ' CZ ' HD23 ' B' ' 50' ' ' LEU . 56.5 m-85 -92.2 9.31 34.24 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.315 0.384 . . . . 0.0 111.775 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 56.82 38.81 29.71 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.897 0.38 . . . . 0.0 111.342 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.7 mt -77.14 126.6 37.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -94.22 -178.55 4.65 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.867 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -66.6 148.15 52.29 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.18 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 54.66 84.28 0.07 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.311 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.1 p -129.49 156.05 44.75 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.254 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.6 m -105.19 121.39 43.73 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.326 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 71.5 mt -111.46 128.33 55.97 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.062 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -90.93 141.53 28.73 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.138 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 22.3 tp -110.92 130.37 55.6 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.745 -178.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.59 HG22 ' HB1' ' C' ' 673' ' ' ALA . 17.5 t -131.67 165.13 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 CA-C-N 115.203 -0.908 . . . . 0.0 108.829 179.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.5 ' N ' HG12 ' B' ' 70' ' ' VAL . 8.4 mp -106.99 131.49 54.0 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.822 0.344 . . . . 0.0 111.719 -179.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -97.28 134.58 40.39 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.233 178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.582 HD12 ' C ' ' C' ' 680' ' ' PHE . 52.9 mt -115.14 -7.07 12.47 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.792 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 79.7 ttt-85 -61.96 -41.27 97.79 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.82 166.55 24.28 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.102 -0.799 . . . . 0.0 111.102 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.687 0 N-CA-C 110.869 -0.893 . . . . 0.0 110.869 -179.935 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.375 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -86.86 -21.51 26.34 Favored 'General case' 0 N--CA 1.467 0.395 0 O-C-N 123.433 0.137 . . . . 0.0 111.15 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 95.4 mtp -63.36 -40.96 98.7 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.141 0.276 . . . . 0.0 110.547 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -177.27 143.52 0.53 Allowed Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.484 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.44 -12.15 34.02 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 122.223 1.949 . . . . 0.0 112.937 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.41 HG12 ' CE ' ' C' ' 659' ' ' MET . 49.0 t -61.04 -40.91 87.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.329 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.447 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 29.7 mt -60.43 -44.05 96.17 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.27 0.356 . . . . 0.0 110.921 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -63.41 -41.49 98.72 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.335 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -66.24 -37.88 86.57 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.002 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.447 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 70.5 mtm -65.83 -37.57 86.56 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.09 -43.87 97.89 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.882 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.19 -44.0 85.2 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.951 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -65.27 -39.76 93.01 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.065 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 36.0 mt -63.02 -39.37 94.56 Favored 'General case' 0 N--CA 1.46 0.071 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.754 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -61.77 -42.57 99.16 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.19 0.306 . . . . 0.0 110.649 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -72.79 -38.09 67.36 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.356 0.41 . . . . 0.0 110.718 179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -64.0 -44.69 91.87 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.262 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.67 -32.01 73.04 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.584 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.09 -42.49 94.76 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -64.35 -37.8 88.8 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.262 179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -63.82 -38.9 92.83 Favored 'General case' 0 C--N 1.339 0.115 0 O-C-N 123.413 0.446 . . . . 0.0 111.0 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -62.17 -46.54 88.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.494 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -65.73 -41.52 92.14 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.59 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -59.95 -38.27 81.96 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.414 179.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . 0.437 HD21 ' NH2' ' C' ' 678' ' ' ARG . 28.6 tp -62.02 -37.7 85.9 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.79 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -61.65 -42.95 99.62 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.587 HD12 HD11 ' B' ' 44' ' ' ILE . 89.3 mt -63.67 -43.91 95.31 Favored 'General case' 0 C--N 1.344 0.329 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 178.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.48 -41.93 95.24 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.307 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . 0.437 ' NH2' HD21 ' C' ' 674' ' ' LEU . 99.6 mtt180 -69.34 -43.02 74.53 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.286 0.366 . . . . 0.0 111.496 179.279 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 60.5 mtm -64.53 -44.25 91.44 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.313 0.383 . . . . 0.0 111.182 -179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.582 ' C ' HD12 ' B' ' 73' ' ' LEU . 27.6 m-85 -66.22 -39.82 89.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.476 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -65.25 -34.05 77.45 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.69 178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -61.75 -40.9 96.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.466 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -65.58 -39.19 91.36 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.361 0.413 . . . . 0.0 110.295 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 62.2 ttt180 -62.36 -36.25 81.67 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.057 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 65.38 74.6 0.38 Allowed 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.613 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 68.2 p -93.57 177.38 6.04 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.334 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 45.7 t -113.54 130.91 66.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 27.2 t -72.66 143.6 48.06 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.73 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -130.94 149.17 52.69 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.318 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -64.89 143.5 57.9 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.361 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -109.63 130.36 55.52 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.444 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -79.58 -85.47 0.59 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 19.8 p -154.18 -66.01 0.14 Allowed 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.541 0.21 . . . . 0.0 110.531 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 61.7 t -130.07 135.54 60.75 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.886 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -97.02 110.47 23.0 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.73 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -145.11 172.23 13.38 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.326 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -52.87 142.87 18.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.828 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 71.9 mt -66.78 137.01 56.32 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.126 -179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 56.1 mt -131.07 139.71 49.94 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.707 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 23.6 mtp180 -65.9 -34.34 77.89 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.676 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 48.1 m -51.98 -40.23 60.6 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 123.348 0.405 . . . . 0.0 111.053 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 5.3 p -130.85 128.6 40.96 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.667 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -151.47 166.95 29.54 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.538 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 95.2 mmm -130.14 145.19 51.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.523 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -157.82 161.38 38.37 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.572 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 89.63 16.66 56.39 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.928 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -72.57 142.09 48.42 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.682 0.241 . . . . 0.0 110.775 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 64.1 tttm . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.208 179.676 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.8 pttt -140.56 155.37 46.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.759 -179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -95.79 125.79 40.61 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.099 179.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.1 m -61.96 -38.97 90.51 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.546 -179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.508 ' CD1' HG11 ' A' ' 42' ' ' VAL . 36.4 m-85 60.41 9.02 1.83 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.846 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 17' ' ' VAL . 78.3 p -68.24 -40.81 81.89 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.888 0.375 . . . . 0.0 111.098 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mm -69.33 -43.09 81.39 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.194 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.411 ' CZ ' ' HG3' ' A' ' 115' ' ' PRO . 93.5 m-85 -62.88 -43.63 98.27 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.876 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.559 HG23 ' CG2' ' A' ' 148' ' ' THR . 8.7 p -63.22 -36.41 75.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -55.07 -45.75 75.37 Favored 'General case' 0 C--O 1.238 0.45 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 42.6 tttm -62.67 -39.06 92.75 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.93 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.552 HG13 ' CE2' ' C' ' 697' ' ' TYR . 71.0 t -60.42 -42.54 91.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.43 HD13 HD22 ' A' ' 152' ' ' LEU . 39.4 tp -59.76 -37.41 78.94 Favored 'General case' 0 CA--C 1.533 0.295 0 O-C-N 123.37 0.419 . . . . 0.0 110.671 -178.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -63.47 -35.75 81.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.784 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.42 -35.3 54.25 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.466 -178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 p -77.0 -27.87 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.676 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.751 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.33 91.13 0.21 Allowed Pre-proline 0 CA--C 1.551 0.998 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -58.01 -33.32 97.09 Favored 'Trans proline' 0 N--CA 1.504 2.092 0 C-N-CA 122.56 2.173 . . . . 0.0 112.98 -179.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -62.25 -50.23 72.55 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 80.7 p -81.84 133.49 35.33 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.848 -179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.14 -172.56 21.71 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 tt -137.33 139.5 43.7 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.748 0.308 . . . . 0.0 110.267 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 83.9 p -79.03 160.93 26.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.266 179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -59.06 -40.86 86.49 Favored 'General case' 0 N--CA 1.434 -1.264 0 C-N-CA 124.715 1.206 . . . . 0.0 109.043 -177.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -67.08 -43.39 82.69 Favored 'General case' 0 C--N 1.346 0.447 0 C-N-CA 124.369 1.068 . . . . 0.0 110.596 -179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.94 91.46 Favored 'General case' 0 C--O 1.235 0.316 0 O-C-N 123.489 0.493 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.413 ' SD ' HG13 ' A' ' 17' ' ' VAL . 8.4 tpp -64.95 -41.39 95.54 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.537 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.29 -38.96 95.41 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.79 -43.96 99.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.8 mmm -64.8 -35.51 81.33 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.058 179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 43.8 t-20 -59.27 -44.46 92.43 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.5 m -67.15 -33.79 76.18 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.402 0.439 . . . . 0.0 110.481 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -61.85 -44.56 96.59 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.028 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.508 HG11 ' CD1' ' A' ' 13' ' ' TYR . 61.2 t -61.28 -46.71 96.07 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.463 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -64.48 -42.44 95.88 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.486 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -63.93 -48.1 77.91 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.683 -179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.0 mm -65.4 -41.98 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.075 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -57.17 -46.47 82.75 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -67.2 -42.43 84.15 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.268 0.355 . . . . 0.0 111.933 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -62.35 -44.23 96.97 Favored 'General case' 0 N--CA 1.466 0.33 0 O-C-N 123.192 0.307 . . . . 0.0 111.628 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.42 HG21 ' CD1' ' A' ' 140' ' ' LEU . 92.6 mt -65.19 -43.25 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.469 ' HB1' ' CZ ' ' A' ' 128' ' ' TYR . . . -60.26 -42.07 94.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.23 -43.36 95.46 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -67.67 -39.71 84.5 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.55 -40.62 93.05 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.5 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 63.9 p -61.11 -43.64 98.57 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.211 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.47 -40.87 98.25 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.559 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.33 -41.2 98.37 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.598 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -64.21 -37.64 88.18 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.371 0.42 . . . . 0.0 110.483 179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -65.82 -42.45 90.58 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 109.928 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -63.18 -40.03 96.33 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.87 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -86.92 0.71 54.57 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.923 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 55.66 30.34 15.31 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-O 120.75 0.31 . . . . 0.0 111.312 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.422 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 95.0 mtt180 -100.98 107.68 19.21 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.525 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 20.3 m -60.47 -38.9 85.74 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.943 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 m -89.55 126.14 35.49 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.735 -179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 91.8 mt -86.26 135.06 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 59.5 p -131.53 176.03 8.66 Favored 'General case' 0 C--O 1.236 0.391 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.83 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.8 p -56.35 -32.22 64.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.958 -179.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.8 mtt85 -61.08 -43.9 98.19 Favored 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.013 0.196 . . . . 0.0 111.319 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.9 mp0 -66.62 -43.31 85.12 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.074 0.234 . . . . 0.0 110.682 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.569 HD11 ' HB1' ' A' ' 136' ' ' ALA . 96.8 mt -63.89 -42.78 96.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.018 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -56.25 -43.15 78.41 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.912 -178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 18.5 m -62.85 -45.03 94.51 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.214 0.321 . . . . 0.0 110.461 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.82 92.36 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.45 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' ILE . 70.8 t -64.51 -45.51 95.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 O-C-N 123.34 0.4 . . . . 0.0 110.408 -179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -64.89 -38.44 90.98 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.19 0.306 . . . . 0.0 111.636 -178.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.3 mt -71.23 -33.39 69.82 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -178.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.7 mt -87.27 -37.13 17.47 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.463 ' N ' HD12 ' A' ' 78' ' ' LEU . 9.4 mp -93.83 149.99 37.92 Favored Pre-proline 0 CA--C 1.543 0.707 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.237 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -63.48 -176.66 0.33 Allowed 'Trans proline' 0 N--CA 1.5 1.878 0 C-N-CA 122.463 2.108 . . . . 0.0 111.764 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.54 -48.95 67.83 Favored Glycine 0 CA--C 1.533 1.186 0 CA-C-N 116.353 -0.385 . . . . 0.0 113.273 -178.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 53.7 mp0 -64.0 -45.97 86.63 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.864 0.332 . . . . 0.0 111.628 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.517 HD23 ' HB3' ' A' ' 181' ' ' GLU . 4.4 mm? -63.87 -41.63 97.71 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.348 -179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.13 -40.24 94.17 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.369 0.418 . . . . 0.0 111.918 -179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -59.99 -46.75 88.44 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 123.136 0.273 . . . . 0.0 111.442 -178.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 146' ' ' TYR . 25.7 m-70 -71.52 -36.3 71.0 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.269 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.02 -38.02 84.64 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.344 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 83' ' ' ALA . 93.3 t -63.74 -41.68 93.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.441 -179.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -62.97 -44.19 96.74 Favored 'General case' 0 N--CA 1.436 -1.138 0 C-N-CA 123.431 0.693 . . . . 0.0 110.785 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.442 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 12.6 mt-10 -66.08 -45.38 81.47 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 120.542 -1.349 . . . . 0.0 111.184 -179.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.18 -43.05 73.44 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.484 -0.646 . . . . 0.0 111.484 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 87' ' ' VAL . 24.5 p -64.15 -45.73 87.21 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 120.799 0.333 . . . . 0.0 110.668 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -63.97 -37.03 85.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.961 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.65 -43.58 93.83 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 71.7 t -65.84 -41.46 90.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.1 m -60.07 -44.55 94.66 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.071 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -62.66 -36.19 82.07 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.069 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -58.7 -46.67 86.77 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 18.5 m -69.17 -38.9 78.95 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.721 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.5 t -63.09 -46.91 85.14 Favored 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 124.672 1.189 . . . . 0.0 111.599 -177.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 52.7 m -62.4 -35.05 77.99 Favored 'General case' 0 C--N 1.353 0.761 0 C-N-CA 122.376 0.271 . . . . 0.0 110.86 177.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 100' ' ' SER . . . 71.7 -63.01 0.44 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.546 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.2 m -132.81 136.55 46.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.395 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.518 ' HB3' ' HG3' ' A' ' 109' ' ' ARG . . . -143.96 165.42 27.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.133 179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -66.99 -46.04 75.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.879 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.9 p -126.41 166.65 16.8 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.787 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -66.16 -43.25 87.47 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.185 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.5 p -61.63 -33.03 73.22 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.3 0.375 . . . . 0.0 110.934 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 7.3 t -63.88 -38.15 90.04 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.368 0.417 . . . . 0.0 110.875 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.518 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 99.7 mtt180 -62.17 -34.73 76.97 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.71 -179.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -93.5 -22.19 19.01 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.673 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 65.56 39.6 95.63 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.566 -0.614 . . . . 0.0 111.566 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.445 HD13 ' HB3' ' A' ' 141' ' ' ALA . 67.0 mt -109.92 133.96 52.61 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.452 ' OE1' HG22 ' A' ' 20' ' ' VAL . 27.1 mt-30 -56.84 -43.49 81.15 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -63.41 129.34 93.52 Favored Pre-proline 0 CA--C 1.547 0.861 0 O-C-N 123.507 0.504 . . . . 0.0 110.31 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.411 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 28.1 Cg_exo -58.95 106.59 0.3 Allowed 'Trans proline' 0 N--CA 1.502 2.0 0 C-N-CA 122.151 1.9 . . . . 0.0 112.051 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.407 HG11 HG22 ' A' ' 138' ' ' VAL . 89.4 t -63.42 -43.25 98.38 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.334 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.38 -40.03 91.4 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 89.5 mmt-85 -66.2 -38.8 88.86 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.334 0.111 . . . . 0.0 110.908 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.88 -44.9 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -60.93 -43.35 98.75 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.463 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -64.88 -41.53 95.56 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.162 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 71.5 mt -62.26 -40.28 95.68 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.396 0.435 . . . . 0.0 111.431 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 72.6 mt -60.97 -44.03 97.93 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.335 0.397 . . . . 0.0 110.856 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -69.73 -40.72 76.05 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.041 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.71 -39.45 93.66 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.748 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.69 -5.26 23.27 Favored Glycine 0 CA--C 1.54 1.598 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.127 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.2 t30 59.36 28.47 17.83 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.946 0.373 . . . . 0.0 111.495 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.469 ' CZ ' ' HB1' ' A' ' 50' ' ' ALA . 63.5 m-85 -63.54 -41.4 98.45 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.337 179.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 82.5 p -153.74 163.21 40.4 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.453 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -67.38 -38.88 85.4 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.885 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -126.2 145.56 50.33 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.907 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.6 t -128.43 134.89 63.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -84.55 175.06 50.69 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -91.68 -37.42 13.04 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 115.579 -0.31 . . . . 0.0 110.815 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.69 -35.05 90.54 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.703 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.784 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -59.21 -59.93 12.23 Favored Pre-proline 0 CA--C 1.546 0.813 0 CA-C-O 118.955 -0.545 . . . . 0.0 110.553 -179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.784 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 41.6 Cg_exo -54.31 -38.31 88.73 Favored 'Trans proline' 0 N--CA 1.497 1.705 0 C-N-CA 121.641 1.56 . . . . 0.0 111.34 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 134' ' ' ALA . 95.5 t -62.8 -45.8 97.95 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.433 ' O ' HG23 ' A' ' 143' ' ' VAL . 32.0 t80 -61.96 -43.92 97.82 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 123.458 0.474 . . . . 0.0 110.087 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.42 ' CD1' HG21 ' A' ' 49' ' ' ILE . 32.0 tp -62.65 -41.64 99.17 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.741 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.445 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -59.04 -41.76 88.6 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -66.05 -41.79 90.39 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.424 0.452 . . . . 0.0 111.123 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 139' ' ' TYR . 65.5 t -63.82 -45.56 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.388 -179.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.9 mt -63.93 -40.99 97.72 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.396 0.435 . . . . 0.0 111.197 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -64.28 -39.37 93.8 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.526 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 69.8 t80 -61.52 -47.48 85.39 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.541 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 75.2 mt -61.69 -42.45 98.96 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.113 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.559 ' CG2' HG23 ' A' ' 17' ' ' VAL . 15.7 m -62.55 -44.39 96.45 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 123.431 0.457 . . . . 0.0 111.007 -179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.92 88.84 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.0 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.462 ' OE1' HD23 ' C' ' 699' ' ' LEU . 6.2 mm-40 -68.52 -41.4 80.0 Favored 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.236 0.335 . . . . 0.0 111.845 -178.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 80.7 mt -63.5 -43.42 98.35 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 O-C-N 123.389 0.43 . . . . 0.0 109.907 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.43 HD22 HD13 ' A' ' 21' ' ' LEU . 79.4 mt -63.59 -40.37 96.77 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.4 0.438 . . . . 0.0 111.611 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.468 ' HG2' HD22 ' C' ' 699' ' ' LEU . 46.1 tp10 -62.62 -45.78 91.29 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.129 0.268 . . . . 0.0 110.524 -179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.63 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 66.7 mt -62.95 -40.16 96.83 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.305 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.75 -36.99 80.32 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.179 179.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -62.96 -39.19 97.76 Favored Glycine 0 C--N 1.339 0.744 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.4 m-80 -62.32 -41.95 98.97 Favored 'General case' 0 N--CA 1.467 0.382 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -62.03 -44.98 95.54 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 178.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.591 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -65.28 -34.62 78.77 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.912 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 61.8 ttt85 -58.32 -43.36 88.13 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -64.93 -33.61 76.44 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.361 0.413 . . . . 0.0 110.255 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -96.99 16.36 19.73 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.788 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 61.8 pttt 41.01 46.68 2.5 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.045 0.45 . . . . 0.0 111.942 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.591 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 88.8 mttt -113.76 118.28 33.84 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.521 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 28.9 p -66.86 -38.66 86.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.055 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -86.73 150.7 23.98 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.542 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 71.1 mt -103.47 129.58 55.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 24.0 pt -119.99 165.92 16.51 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.208 -179.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_exo -51.75 -33.82 51.6 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.121 1.88 . . . . 0.0 112.058 -179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 72.4 ttt180 -61.2 -42.72 99.09 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -66.4 -41.37 89.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.155 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 73.6 mt -63.03 -42.6 99.8 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.895 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -64.37 -43.28 95.02 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.242 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.91 -41.21 97.73 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.991 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.63 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -62.87 -45.43 92.6 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.206 -179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.406 HD13 HD13 ' A' ' 182' ' ' LEU . 37.0 mm -64.12 -43.87 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.139 -179.575 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 78.0 ttt-85 -65.92 -33.49 75.96 Favored 'General case' 0 CA--C 1.534 0.345 0 O-C-N 123.467 0.479 . . . . 0.0 110.759 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -76.07 -16.83 59.86 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 123.089 0.243 . . . . 0.0 111.384 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -104.29 112.84 26.04 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.18 -39.98 96.19 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.681 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.517 ' HB3' HD23 ' A' ' 82' ' ' LEU . 50.7 mp0 -62.89 -47.13 84.65 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.269 0.356 . . . . 0.0 111.638 -179.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.406 HD13 HD13 ' A' ' 176' ' ' ILE . 75.8 mt -65.7 -35.91 82.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.804 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -59.39 -40.8 87.72 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.254 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -63.87 -44.76 92.13 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.42 -39.8 92.59 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.666 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 67.1 mt -97.77 20.02 12.72 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.034 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -59.01 -35.59 84.45 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.164 -0.775 . . . . 0.0 111.164 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -98.71 11.86 37.27 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 111.816 0.302 . . . . 0.0 111.816 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 70.4 t -121.62 126.6 74.96 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 6.7 t -114.23 139.35 49.46 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.726 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 24.2 mm -88.17 138.02 19.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.25 -179.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -51.3 -37.93 50.12 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.954 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 66.6 tp60 60.85 96.77 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.249 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 118.005 -1.441 . . . . 0.0 110.945 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.8 ptt? . . . . . 0 N--CA 1.493 1.685 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 41.4 tt0 -96.43 130.26 43.61 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.121 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 31.5 pt -131.64 162.49 39.35 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.053 179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -116.35 141.17 48.51 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.1 t -120.35 129.16 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -115.28 151.8 33.88 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.182 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 75.3 p -122.75 164.61 18.01 Favored 'General case' 0 N--CA 1.471 0.619 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.694 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 80.7 mt -61.92 -22.27 65.45 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.312 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 58.7 p -69.87 -24.4 63.41 Favored 'General case' 0 N--CA 1.439 -0.986 0 O-C-N 119.895 -1.753 . . . . 0.0 111.284 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.22 1.6 38.45 Favored Glycine 0 C--N 1.356 1.687 0 O-C-N 121.161 -0.962 . . . . 0.0 112.677 -173.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -82.78 150.57 26.56 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 117.262 0.531 . . . . 0.0 110.099 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.5 m -130.9 128.54 40.75 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.321 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.585 HD12 ' CD ' ' B' ' 33' ' ' LYS . 46.8 pt -123.32 135.67 62.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.295 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.7 t -81.62 139.16 35.17 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.5 tp -142.79 141.0 31.58 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.922 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -110.94 116.68 31.62 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.239 179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.4 m -135.01 161.99 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.037 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -107.44 154.35 40.73 Favored Pre-proline 0 CA--C 1.539 0.522 0 O-C-N 123.177 0.298 . . . . 0.0 110.718 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -55.84 -34.36 91.17 Favored 'Trans proline' 0 N--CA 1.5 1.904 0 C-N-CA 122.252 1.968 . . . . 0.0 112.299 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 80.4 p -78.03 -15.56 58.82 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -66.35 142.23 57.7 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.65 0.262 . . . . 0.0 110.544 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 18.6 p -80.14 159.12 26.16 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.903 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.47 HG23 HD12 ' B' ' 43' ' ' LEU . 34.2 mm -63.94 -42.35 95.49 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.468 179.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -57.14 -37.82 72.61 Favored 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.343 0.402 . . . . 0.0 110.228 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -62.66 -42.22 99.5 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.073 179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.93 -43.11 97.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.544 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -60.27 -39.25 86.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.649 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.97 85.15 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.352 0.408 . . . . 0.0 110.377 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.78 -39.55 94.55 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.435 0.459 . . . . 0.0 109.791 179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.9 -41.86 92.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -56.5 -37.54 70.54 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -65.74 -35.22 80.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.843 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.585 ' CD ' HD12 ' B' ' 13' ' ' ILE . 63.5 mttp -81.32 -46.0 15.36 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.176 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.489 ' HG2' HD11 ' B' ' 36' ' ' ILE . 4.3 tp10 -98.95 -36.55 9.71 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 114.386 1.254 . . . . 0.0 114.386 176.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 90.65 30.62 11.41 Favored Glycine 0 C--N 1.359 1.832 0 C-N-CA 124.492 1.044 . . . . 0.0 111.676 -170.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.489 HD11 ' HG2' ' B' ' 34' ' ' GLU . 52.2 mt -94.53 141.05 22.93 Favored Pre-proline 0 CA--C 1.546 0.817 0 CA-C-O 119.259 -0.401 . . . . 0.0 110.083 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.01 118.01 4.8 Favored 'Trans proline' 0 N--CA 1.502 1.976 0 C-N-CA 121.989 1.793 . . . . 0.0 112.256 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -55.65 -35.89 93.81 Favored 'Trans proline' 0 N--CA 1.501 1.921 0 C-N-CA 122.301 2.0 . . . . 0.0 112.637 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -63.75 -38.64 91.86 Favored 'General case' 0 N--CA 1.422 -1.833 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -88.36 9.21 24.14 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.605 0.762 . . . . 0.0 111.506 -169.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -108.33 137.1 46.87 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.893 0.377 . . . . 0.0 111.729 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 38.4 mtt-85 -114.39 134.72 54.77 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.529 -0.76 . . . . 0.0 109.256 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.53 ' HB3' HD12 ' B' ' 50' ' ' LEU . 73.2 mt -108.45 128.82 55.13 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.621 HD13 ' HA ' ' B' ' 49' ' ' GLN . 10.4 mm -115.25 129.66 71.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.286 -179.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -122.07 121.43 36.95 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.73 26.91 8.07 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.325 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.41 15.77 70.6 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 112.091 -0.404 . . . . 0.0 112.091 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -111.12 136.71 49.75 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 117.151 0.476 . . . . 0.0 110.3 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.706 ' NE2' HD21 ' C' ' 676' ' ' LEU . 82.2 mt-30 -64.7 150.91 46.35 Favored 'General case' 0 CA--C 1.515 -0.399 0 O-C-N 123.438 0.461 . . . . 0.0 110.079 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.53 HD12 ' HB3' ' B' ' 43' ' ' LEU . 96.0 mt -121.4 127.28 51.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.206 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -86.22 136.9 33.0 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.095 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -64.02 -38.89 92.72 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.688 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.93 -18.17 70.36 Favored Glycine 0 CA--C 1.534 1.234 0 O-C-N 123.571 0.544 . . . . 0.0 112.934 -179.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -91.28 163.89 14.07 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 117.273 0.536 . . . . 0.0 111.003 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 35.3 p -102.83 167.57 9.79 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.7 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.98 -40.08 96.65 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.467 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.6 t -58.57 -29.11 66.14 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.788 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -61.17 -35.55 77.43 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.176 0.298 . . . . 0.0 111.148 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.484 ' CZ ' HD23 ' B' ' 50' ' ' LEU . 54.1 m-85 -91.95 9.73 31.84 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.788 179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 60.7 t30 52.97 52.66 13.42 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.12 0.486 . . . . 0.0 111.141 179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.6 mt -86.51 126.6 40.73 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.347 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -95.34 175.82 6.44 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.537 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -58.58 143.6 45.65 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.125 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 57.14 86.57 0.07 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.054 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 96.3 p -129.47 156.82 43.51 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.336 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 20.6 m -108.22 122.4 46.86 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.376 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 71.7 mt -116.42 125.62 52.29 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.916 179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -89.17 148.93 23.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.887 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.6 tp -110.46 131.44 55.05 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.865 -178.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.597 HG22 ' HB1' ' C' ' 673' ' ' ALA . 14.3 t -130.5 165.11 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.746 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.493 ' N ' HG12 ' B' ' 70' ' ' VAL . 4.5 mp -108.64 125.28 51.69 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.741 0.305 . . . . 0.0 111.328 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 24.0 ttp85 -89.09 136.11 33.2 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.578 -0.737 . . . . 0.0 109.481 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.554 HD22 ' CZ ' ' C' ' 684' ' ' ARG . 45.1 mt -125.12 21.73 8.03 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 111.591 0.219 . . . . 0.0 111.591 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -66.58 -43.01 86.09 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.363 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.66 173.86 34.61 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.61 -1.396 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 74.5 m80 -116.4 130.81 56.97 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.527 0.203 . . . . 0.0 110.67 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 94.2 mtp -64.96 -40.17 94.6 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.53 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.52 125.37 0.02 OUTLIER Pre-proline 0 CA--C 1.55 0.943 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.749 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -73.13 -11.34 25.12 Favored 'Trans proline' 0 N--CA 1.502 2.009 0 C-N-CA 122.103 1.869 . . . . 0.0 113.049 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.47 HG12 ' CE ' ' C' ' 659' ' ' MET . 48.6 t -62.19 -42.32 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.468 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 28.6 mt -60.59 -43.43 97.38 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.076 -179.223 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -64.23 -39.32 93.72 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 121.06 -0.256 . . . . 0.0 110.531 179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.24 -38.99 78.76 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.972 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.47 ' CE ' HG12 ' C' ' 655' ' ' VAL . 73.8 mtm -65.08 -39.45 93.23 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -62.58 -43.92 97.6 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.698 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -65.01 -43.42 92.54 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.945 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.53 -40.88 96.43 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.16 -40.96 97.75 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -62.15 -42.32 99.14 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.279 0.362 . . . . 0.0 110.494 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.41 -38.32 74.58 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.773 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' C' ' 670' ' ' ARG . 83.2 tt0 -64.14 -47.74 78.76 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -63.19 -33.48 75.57 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.452 0.47 . . . . 0.0 111.423 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -59.08 -46.28 88.69 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.62 -35.45 78.97 Favored 'General case' 0 C--O 1.226 -0.148 0 O-C-N 123.695 0.622 . . . . 0.0 110.479 178.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' C' ' 666' ' ' GLU . 38.0 mtm180 -64.48 -39.3 93.55 Favored 'General case' 0 C--N 1.344 0.341 0 O-C-N 123.376 0.422 . . . . 0.0 110.619 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -65.25 -47.89 75.16 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 123.34 0.4 . . . . 0.0 110.794 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.518 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.4 tm? -67.5 -43.78 80.05 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.975 0.416 . . . . 0.0 110.101 179.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.597 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -61.71 -38.33 87.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.427 179.656 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 25.3 tp -61.64 -38.22 86.89 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.702 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -61.92 -41.29 97.75 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.706 HD21 ' NE2' ' B' ' 49' ' ' GLN . 84.7 mt -64.32 -43.63 94.07 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.05 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -61.6 -41.01 96.82 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.439 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 78.2 mtp85 -67.55 -42.81 82.08 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . 0.41 ' HE3' HD23 ' C' ' 676' ' ' LEU . 75.5 mtm -65.85 -45.31 82.65 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.281 0.363 . . . . 0.0 111.272 -179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.448 ' C ' HD12 ' B' ' 73' ' ' LEU . 32.5 m-85 -65.31 -41.33 94.15 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.592 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -66.65 -34.44 77.87 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.73 178.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -60.76 -40.12 91.33 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.739 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -54.53 -42.54 71.0 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.376 0.423 . . . . 0.0 110.129 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.554 ' CZ ' HD22 ' B' ' 73' ' ' LEU . 89.5 mtt180 -80.06 -14.63 58.38 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.679 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 62.42 147.96 0.02 OUTLIER 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.275 0.359 . . . . 0.0 111.127 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 5.9 t -137.18 167.07 22.27 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.351 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 35.0 m -131.39 158.5 43.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.094 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 29.1 p -93.52 13.96 20.24 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 123.46 0.475 . . . . 0.0 111.347 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -59.85 -42.73 94.29 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -105.48 117.98 35.39 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.468 0.48 . . . . 0.0 110.54 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.54 -45.39 87.32 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.495 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 63.75 31.18 79.91 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 78.1 p -62.05 -37.07 83.56 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.518 0.199 . . . . 0.0 110.754 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 55.2 t -100.0 121.41 50.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.908 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -113.09 10.88 18.78 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.448 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -99.22 177.0 5.34 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.552 ' CE2' HG13 ' A' ' 20' ' ' VAL . 52.3 m-85 -70.74 148.15 48.27 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.221 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 71.9 mt -64.22 138.65 58.55 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.976 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . 0.468 HD22 ' HG2' ' A' ' 153' ' ' GLU . 72.9 mt -133.14 132.97 42.26 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.509 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -65.22 -39.74 93.16 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.614 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 38.4 t -99.29 130.88 45.61 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.51 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 66.0 m -155.01 168.77 25.87 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.768 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -63.25 -41.43 99.06 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 63.8 mtt -79.81 110.1 14.84 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.505 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -171.16 76.31 0.06 Allowed 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.521 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 113.95 -165.6 12.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -60.68 -48.44 81.8 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.57 0.224 . . . . 0.0 110.52 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.857 -1.068 . . . . 0.0 110.733 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.5 mtp180 . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -125.44 149.56 48.1 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.694 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -88.43 162.39 16.52 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.117 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 t -91.93 106.34 18.39 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.709 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -106.31 10.43 31.67 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.373 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.5 p -63.41 -40.24 96.67 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.8 mt -66.85 -42.92 89.75 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-N 116.12 -0.491 . . . . 0.0 109.69 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -66.86 -43.95 82.25 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.923 -178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 p -65.11 -35.59 75.78 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.405 ' CD1' ' SD ' ' A' ' 35' ' ' MET . 0.1 OUTLIER -56.26 -44.57 79.84 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.9 ttpt -61.87 -39.02 90.47 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 123.617 0.573 . . . . 0.0 110.035 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.6 t -60.71 -43.08 94.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.7 tp -61.34 -37.18 82.36 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.377 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.01 -40.12 94.46 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.44 0.533 . . . . 0.0 112.44 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.92 -36.32 69.93 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.024 -178.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -77.74 -33.33 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.616 -178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.26 91.16 0.23 Allowed Pre-proline 0 CA--C 1.552 1.041 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.512 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_exo -54.66 -36.17 88.98 Favored 'Trans proline' 0 N--CA 1.505 2.15 0 C-N-CA 122.579 2.186 . . . . 0.0 112.852 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -60.63 -43.79 97.1 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.785 -178.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.9 p -70.19 134.47 48.12 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.265 0.353 . . . . 0.0 110.548 -179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.18 169.08 12.75 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.5 tt -138.26 144.17 31.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.685 0.279 . . . . 0.0 110.356 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.4 p -75.66 158.87 31.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.333 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -66.55 -36.11 81.87 Favored 'General case' 0 N--CA 1.437 -1.088 0 C-N-CA 123.302 0.641 . . . . 0.0 110.605 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -66.07 -42.42 89.43 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 123.675 0.79 . . . . 0.0 110.648 178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.84 -38.24 90.3 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.82 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.405 ' SD ' ' CD1' ' A' ' 18' ' ' TYR . 25.4 ttm -62.49 -43.28 99.19 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.51 0.506 . . . . 0.0 110.513 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.77 -38.61 95.51 Favored Glycine 0 CA--C 1.526 0.773 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.131 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 90.1 mt -62.96 -41.29 92.23 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.6 mmm -61.11 -37.49 82.94 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.954 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.2 -41.21 96.42 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 54.8 m -62.34 -37.62 86.34 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.364 178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.431 ' CE2' HD21 ' A' ' 186' ' ' LEU . 51.8 t80 -61.68 -43.98 97.82 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.821 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.2 t -59.84 -46.12 94.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -64.78 -41.19 96.04 Favored 'General case' 0 N--CA 1.464 0.225 0 O-C-N 123.416 0.448 . . . . 0.0 111.041 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -62.61 -42.48 99.6 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.396 0.435 . . . . 0.0 111.405 -179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.565 HG22 HD12 ' A' ' 49' ' ' ILE . 26.2 mm -63.44 -42.64 96.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.794 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -58.42 -43.8 88.85 Favored 'General case' 0 CA--C 1.533 0.302 0 O-C-N 123.409 0.443 . . . . 0.0 110.809 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -62.01 -46.56 88.65 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.479 HH21 HD13 ' A' ' 45' ' ' ILE . 75.3 mtm180 -65.8 -46.72 77.61 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.565 HD12 HG22 ' A' ' 45' ' ' ILE . 94.5 mt -65.8 -43.72 93.23 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.062 -179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.45 87.97 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.105 -178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.0 -42.7 96.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 48.2 tp10 -69.77 -41.42 75.19 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.42 97.4 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.41 0.444 . . . . 0.0 110.279 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 41.0 t -61.91 -43.19 99.34 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.435 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -64.71 -40.79 95.94 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.483 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.39 -40.1 95.37 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.492 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.525 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -63.56 -38.64 91.91 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.4 0.438 . . . . 0.0 110.633 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -66.91 -45.22 78.61 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.567 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -66.35 -35.46 80.42 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.522 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -85.2 2.6 43.06 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 53.96 29.59 10.29 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-O 120.873 0.368 . . . . 0.0 111.742 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.525 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 84.0 mtt85 -116.34 108.42 16.05 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.358 179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 46.8 m -61.26 -44.58 97.0 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.119 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.7 m -72.42 130.45 40.72 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.625 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.8 mt -99.39 133.87 40.6 Favored 'Isoleucine or valine' 0 C--O 1.234 0.237 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 68.6 p -130.43 175.75 8.71 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.161 -179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 80.5 p -54.85 -31.64 59.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.293 -0.867 . . . . 0.0 111.526 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -60.74 -44.26 96.9 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.193 0.308 . . . . 0.0 111.32 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 46.5 mp0 -66.86 -43.46 83.53 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.186 0.304 . . . . 0.0 110.706 179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.527 HD11 ' HB1' ' A' ' 136' ' ' ALA . 87.1 mt -64.01 -42.54 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.815 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -55.94 -42.11 75.65 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 123.245 0.341 . . . . 0.0 110.836 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.5 m -62.89 -44.68 95.43 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.35 0.406 . . . . 0.0 110.247 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.67 -38.33 89.01 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.671 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 70' ' ' ILE . 70.0 t -61.95 -44.77 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.24 -179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.12 -38.44 91.06 Favored 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.311 0.382 . . . . 0.0 111.264 -178.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.0 mt -76.26 -31.83 58.51 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.44 0.462 . . . . 0.0 112.226 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 65.6 mt -79.79 -37.99 34.05 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -178.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.448 ' N ' HD12 ' A' ' 78' ' ' LEU . 7.3 mp -102.58 148.07 34.96 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 112.276 0.472 . . . . 0.0 112.276 -178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -51.14 179.68 0.03 OUTLIER 'Trans proline' 0 N--CA 1.504 2.095 0 C-N-CA 122.43 2.087 . . . . 0.0 111.642 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.71 -47.3 77.68 Favored Glycine 0 CA--C 1.533 1.213 0 CA-C-N 116.38 -0.373 . . . . 0.0 113.14 -178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -64.94 -46.77 80.22 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.863 0.331 . . . . 0.0 111.58 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.85 -41.18 97.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.228 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.26 -39.47 90.49 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.442 0.464 . . . . 0.0 111.374 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -60.13 -46.47 89.54 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.346 0.404 . . . . 0.0 110.515 -179.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 72.8 m80 -66.91 -36.94 83.4 Favored 'General case' 0 C--N 1.333 -0.128 0 O-C-N 123.575 0.547 . . . . 0.0 111.02 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.94 -36.64 72.81 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.805 -179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.41 -41.13 91.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 O-C-N 123.353 0.408 . . . . 0.0 110.384 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.2 t -59.32 -48.55 81.22 Favored 'General case' 0 N--CA 1.434 -1.272 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.542 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 2.6 mp0 -68.46 -44.15 75.47 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.722 0.809 . . . . 0.0 112.138 -177.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.9 -47.63 45.93 Favored Glycine 0 CA--C 1.534 1.242 0 C-N-CA 121.517 -0.373 . . . . 0.0 113.028 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.8 m -61.01 -47.24 87.36 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.509 0.195 . . . . 0.0 111.198 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -64.15 -36.93 85.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.108 179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.23 -42.14 94.6 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.9 t -68.04 -42.88 85.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.2 m -59.98 -42.32 93.95 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.833 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.8 tttt -60.36 -42.02 94.91 Favored 'General case' 0 N--CA 1.451 -0.416 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -62.23 -45.0 95.28 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 109.573 -0.528 . . . . 0.0 109.573 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.3 p -67.86 -37.95 82.48 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.494 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.1 p -74.83 -48.93 22.58 Favored 'General case' 0 N--CA 1.439 -1.0 0 O-C-N 119.586 -1.946 . . . . 0.0 111.534 179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.8 m -72.48 137.73 46.57 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 118.352 0.524 . . . . 0.0 110.716 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -129.26 -35.83 1.76 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.78 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.2 m -64.32 -31.22 72.34 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.63 93.34 0.04 OUTLIER 'General case' 0 C--N 1.34 0.157 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 89.5 mttt -63.44 -39.48 94.6 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.141 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 16.9 m -67.72 136.25 53.98 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.062 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -60.78 -44.39 96.87 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.28 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 74.4 p -65.72 -34.85 79.15 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.193 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.9 t -62.59 -41.41 98.94 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.099 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.92 -35.19 77.64 Favored 'General case' 0 N--CA 1.464 0.263 0 O-C-N 123.39 0.431 . . . . 0.0 110.713 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.407 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -84.27 -29.94 26.03 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.201 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 72.73 25.05 74.97 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.474 -0.65 . . . . 0.0 111.474 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.581 HD13 ' HB3' ' A' ' 141' ' ' ALA . 67.7 mt -101.05 137.3 39.6 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.229 -0.286 . . . . 0.0 110.229 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -63.78 -41.54 97.94 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.678 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -63.1 143.09 97.69 Favored Pre-proline 0 CA--C 1.541 0.63 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.412 ' O ' HG23 ' A' ' 119' ' ' VAL . 27.2 Cg_endo -63.52 102.63 0.35 Allowed 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 122.199 1.933 . . . . 0.0 111.854 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.19 -42.96 95.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.632 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.83 -41.93 96.3 Favored Glycine 0 CA--C 1.533 1.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 112.298 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -64.6 -37.98 89.42 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.591 0.195 . . . . 0.0 111.409 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 115' ' ' PRO . 97.2 t -59.67 -43.3 91.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -57.3 -44.24 83.91 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.431 0.457 . . . . 0.0 110.5 -179.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -66.71 -37.24 84.3 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.222 179.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 31.5 mt -61.21 -41.51 96.97 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.502 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.2 mt -60.44 -46.02 91.56 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.232 0.332 . . . . 0.0 110.71 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 64.8 mtm-85 -70.91 -36.26 72.61 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.776 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -62.44 -38.61 90.44 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.371 -179.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -69.68 -1.87 33.16 Favored Glycine 0 CA--C 1.54 1.622 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 58.16 30.42 19.35 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 116.817 0.309 . . . . 0.0 111.351 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -68.16 -42.02 80.66 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.589 179.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 38.0 p -153.09 158.84 42.49 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.621 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -70.06 -35.99 74.64 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.827 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 80.4 mtm-85 -124.31 142.74 51.03 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.988 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.9 t -131.08 137.65 55.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.482 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -82.63 169.42 48.95 Favored Glycine 0 CA--C 1.528 0.878 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -85.81 -40.81 15.62 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.492 -0.354 . . . . 0.0 110.769 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.55 -21.1 62.22 Favored Glycine 0 CA--C 1.531 1.091 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.524 179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.527 ' HB1' HD11 ' A' ' 70' ' ' ILE . . . -68.47 -61.15 4.06 Favored Pre-proline 0 CA--C 1.537 0.474 0 CA-C-O 118.923 -0.561 . . . . 0.0 110.578 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 17.1 Cg_endo -57.7 -33.77 97.22 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.696 1.597 . . . . 0.0 111.416 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.407 HG13 ' HB1' ' A' ' 110' ' ' ALA . 91.9 t -66.11 -46.52 87.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -64.34 -47.31 79.84 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.152 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.442 HD13 HG21 ' A' ' 49' ' ' ILE . 35.6 tp -62.69 -41.31 99.04 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.781 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.581 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -58.58 -40.88 84.39 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 -179.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.542 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -66.1 -39.77 90.25 Favored 'General case' 0 C--O 1.235 0.298 0 O-C-N 123.345 0.403 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.28 -45.76 98.02 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.301 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.83 -40.55 95.69 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.384 0.427 . . . . 0.0 110.833 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -61.59 -40.27 94.17 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.399 0.437 . . . . 0.0 110.178 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -61.72 -47.63 84.4 Favored 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.334 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 66.3 mt -62.76 -42.33 99.63 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.48 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 9.1 m -63.41 -45.07 92.7 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.214 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.446 ' HB1' ' HB3' ' C' ' 697' ' ' TYR . . . -63.25 -40.99 99.0 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.801 -179.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -67.94 -43.07 79.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.381 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.56 -42.98 96.71 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 O-C-N 123.299 0.375 . . . . 0.0 110.014 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.44 -41.18 98.54 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.601 -178.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -67.51 -41.69 84.04 Favored 'General case' 0 C--O 1.236 0.364 0 O-C-N 123.185 0.303 . . . . 0.0 110.697 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.579 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 64.8 mt -63.57 -41.33 98.41 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.357 179.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.474 ' HB2' HD23 ' A' ' 172' ' ' LEU . . . -61.09 -36.57 80.02 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.466 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -64.63 -38.61 95.9 Favored Glycine 0 C--N 1.339 0.71 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -61.56 -42.88 99.48 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 121.199 -0.2 . . . . 0.0 110.505 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.24 90.35 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.16 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.57 91.69 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.407 179.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -61.16 -39.95 92.02 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.375 179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.6 -34.02 76.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.402 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -91.71 10.72 27.15 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.721 179.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 55.62 49.29 16.78 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.142 0.496 . . . . 0.0 111.108 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -134.77 145.57 48.53 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.792 179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 12.2 p -98.39 -19.42 17.74 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.265 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -88.89 148.01 24.06 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.409 HG23 ' HB1' ' A' ' 155' ' ' ALA . 63.0 mt -103.19 129.83 54.38 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 13.2 pt -125.23 160.93 52.65 Favored Pre-proline 0 N--CA 1.473 0.713 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.165 -179.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_endo -51.02 -31.76 36.09 Favored 'Trans proline' 0 N--CA 1.506 2.212 0 C-N-CA 122.249 1.966 . . . . 0.0 111.942 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 79.0 mtp85 -63.9 -39.77 94.97 Favored 'General case' 0 C--O 1.232 0.171 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -67.46 -43.55 80.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.345 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.474 HD23 ' HB2' ' A' ' 155' ' ' ALA . 55.7 mt -61.79 -42.33 98.87 Favored 'General case' 0 N--CA 1.464 0.227 0 O-C-N 123.61 0.569 . . . . 0.0 111.01 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -66.37 -42.24 88.3 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.241 0.338 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 54.8 mt -62.4 -43.5 98.67 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.025 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.579 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -64.74 -45.55 85.97 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 123.446 0.466 . . . . 0.0 111.065 -179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.87 -44.31 96.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.048 -179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -68.15 -23.33 64.87 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 123.443 0.464 . . . . 0.0 111.04 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -79.25 -17.07 55.46 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.677 0.251 . . . . 0.0 111.677 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -109.8 121.25 44.81 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -65.82 -40.03 91.44 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.802 -179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 55.4 mp0 -62.99 -46.79 86.03 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.286 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 66.8 mt -64.13 -38.4 90.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.557 179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -60.9 -40.7 94.07 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.279 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 54.6 tptt -61.71 -45.3 94.54 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.078 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 39.3 tp -65.89 -40.73 91.84 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.389 0.43 . . . . 0.0 110.522 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.431 HD21 ' CE2' ' A' ' 41' ' ' PHE . 78.9 mt -92.83 20.58 6.41 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.956 -179.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.64 -39.35 75.27 Favored Glycine 0 CA--C 1.527 0.815 0 N-CA-C 111.284 -0.726 . . . . 0.0 111.284 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -93.01 14.49 17.57 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 70.4 t -122.88 130.67 74.32 Favored 'Isoleucine or valine' 0 C--N 1.341 0.211 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 6.9 t -128.82 144.71 51.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.542 179.127 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 64.7 mt -126.04 123.75 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.879 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -136.48 152.22 50.31 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.566 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.05 132.2 49.86 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.384 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.748 0 CA-C-O 117.954 -1.47 . . . . 0.0 110.927 -179.912 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.2 ptt? . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -98.34 130.35 45.01 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.743 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 35.6 pt -129.96 162.72 37.15 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.955 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.473 ' CD1' HG22 ' B' ' 14' ' ' THR . 96.9 m-85 -114.06 140.09 48.75 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.121 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 41.6 t -120.29 127.27 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -113.56 153.0 29.52 Favored 'General case' 0 CA--C 1.53 0.181 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.305 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 73.3 p -121.91 160.74 24.15 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.28 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.82 -23.57 65.19 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.14 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.4 p -69.6 -19.38 63.65 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 120.482 -1.386 . . . . 0.0 111.352 177.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.86 15.51 26.34 Favored Glycine 0 C--N 1.352 1.463 0 O-C-N 121.436 -0.79 . . . . 0.0 112.754 -171.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -101.31 125.2 47.92 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 117.092 0.446 . . . . 0.0 109.892 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 33.5 m -119.68 128.75 54.1 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.151 179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 44.3 pt -125.79 136.33 61.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.537 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.473 HG22 ' CD1' ' B' ' 4' ' ' PHE . 51.9 p -79.34 142.44 36.06 Favored 'General case' 0 CA--C 1.492 -1.256 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 -179.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.5 tp -139.22 140.35 37.72 Favored 'General case' 0 C--N 1.346 0.444 0 C-N-CA 123.951 0.9 . . . . 0.0 110.868 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -110.27 114.43 27.89 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.772 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.0 m -136.82 162.46 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.46 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.169 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -110.0 150.45 41.44 Favored Pre-proline 0 CA--C 1.547 0.842 0 O-C-N 123.173 0.296 . . . . 0.0 110.49 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -53.15 -37.89 80.37 Favored 'Trans proline' 0 N--CA 1.503 2.055 0 C-N-CA 122.327 2.018 . . . . 0.0 112.489 -179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -71.37 -19.22 62.3 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.298 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -67.01 141.74 57.47 Favored 'General case' 0 C--O 1.238 0.476 0 O-C-N 123.12 0.263 . . . . 0.0 110.56 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.417 HG22 HG22 ' B' ' 55' ' ' THR . 20.6 p -82.21 163.5 21.85 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.912 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 30.0 mm -63.54 -41.1 91.5 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.51 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -53.29 -41.65 65.8 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -63.9 -40.34 96.27 Favored 'General case' 0 C--O 1.235 0.311 0 O-C-N 123.289 0.368 . . . . 0.0 110.168 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.66 -44.1 98.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.837 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -61.46 -39.53 91.19 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.83 89.61 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.294 0.371 . . . . 0.0 110.378 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -64.17 -39.55 94.24 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.263 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.1 mt -63.32 -42.9 98.05 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.317 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -57.01 -36.61 70.63 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -67.06 -39.69 86.91 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.194 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -88.14 -31.76 19.0 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -96.1 -40.63 9.13 Favored 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.811 2.044 . . . . 0.0 114.95 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.72 21.44 50.73 Favored Glycine 0 C--N 1.356 1.659 0 C-N-CA 124.556 1.074 . . . . 0.0 111.764 -169.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 61.7 mt -99.11 124.06 46.66 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 119.134 -0.46 . . . . 0.0 110.001 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_exo -54.37 137.57 71.98 Favored 'Trans proline' 0 N--CA 1.5 1.861 0 C-N-CA 122.104 1.869 . . . . 0.0 112.301 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.36 -29.22 79.29 Favored 'Trans proline' 0 N--CA 1.502 1.983 0 C-N-CA 122.27 1.98 . . . . 0.0 112.511 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.432 ' HB3' ' HA3' ' B' ' 76' ' ' GLY . 81.8 m-20 -65.53 -38.69 90.38 Favored 'General case' 0 N--CA 1.43 -1.431 0 C-N-CA 118.069 -1.453 . . . . 0.0 108.435 -179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -90.41 8.41 33.8 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 120.596 -0.442 . . . . 0.0 111.297 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -99.47 137.86 37.37 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 tpm_? -117.93 126.73 52.9 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.599 178.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.452 ' HB3' HD12 ' B' ' 50' ' ' LEU . 61.2 mt -111.98 135.89 52.03 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.506 HD11 HD12 ' C' ' 676' ' ' LEU . 94.8 mt -129.69 138.76 53.36 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 O-C-N 123.542 0.526 . . . . 0.0 110.538 -178.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -123.86 123.45 40.47 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.359 -0.837 . . . . 0.0 108.757 178.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.71 28.84 14.82 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.667 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.76 15.11 76.32 Favored Glycine 0 CA--C 1.536 1.363 0 CA-C-N 116.437 -0.347 . . . . 0.0 112.466 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt -112.77 133.87 54.57 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 117.021 0.41 . . . . 0.0 110.113 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -63.27 146.67 52.95 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' B' ' 43' ' ' LEU . 72.8 mt -114.81 139.43 49.74 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.152 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -90.85 139.06 31.1 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -64.81 -40.88 95.92 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-N 116.026 -0.534 . . . . 0.0 112.341 -179.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.25 3.05 41.63 Favored Glycine 0 CA--C 1.537 1.454 0 CA-C-N 116.117 -0.492 . . . . 0.0 113.711 -178.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -106.21 161.54 14.44 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 117.35 0.575 . . . . 0.0 110.908 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.417 HG22 HG22 ' B' ' 22' ' ' THR . 69.6 p -100.08 164.13 12.12 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.731 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 83.2 mt -62.87 -39.57 94.82 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.435 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 49.2 m -57.43 -30.62 65.14 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.709 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -61.54 -36.34 80.29 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.088 0.242 . . . . 0.0 111.31 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -91.7 9.54 32.04 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 23.7 m120 54.87 37.42 28.61 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 120.984 0.421 . . . . 0.0 111.136 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.0 mt -79.51 130.12 36.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -105.51 175.5 5.47 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.826 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -66.56 162.77 20.16 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.214 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 54.36 43.3 30.66 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.095 0.474 . . . . 0.0 110.459 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 33.9 t -108.35 146.04 33.58 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.294 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 28.1 m -99.39 124.38 44.47 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.552 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 84.7 mt -112.47 126.09 54.94 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.245 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -82.89 143.8 30.5 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.741 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.3 tp -111.07 126.37 54.74 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 121.324 0.583 . . . . 0.0 112.1 -177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.688 ' CG2' ' HB1' ' C' ' 673' ' ' ALA . 19.6 t -130.71 163.94 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 178.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.467 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.4 tp -102.82 123.18 45.99 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.605 -178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -91.56 125.13 36.19 Favored 'General case' 0 N--CA 1.451 -0.425 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.563 HD12 ' C ' ' C' ' 680' ' ' PHE . 63.0 mt -98.12 -23.43 15.73 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.64 -179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 63.0 mtm180 -95.46 138.0 33.75 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.706 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 100.02 156.28 28.12 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.081 -0.807 . . . . 0.0 111.081 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . 0.432 ' HA3' ' HB3' ' B' ' 39' ' ' ASP . . . . . . . . 0 CA--C 1.527 0.824 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.298 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -58.91 -38.77 79.68 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.469 0.176 . . . . 0.0 110.536 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 59.9 mtt -82.77 148.74 27.65 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.327 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -156.36 87.22 2.94 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.23 179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.99 -19.23 46.1 Favored 'Trans proline' 0 N--CA 1.502 2.028 0 C-N-CA 122.121 1.88 . . . . 0.0 112.802 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.485 HG12 ' CE ' ' C' ' 659' ' ' MET . 50.3 t -64.28 -42.34 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.423 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 29.6 mt -60.68 -44.15 96.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.17 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 80.2 mtp180 -64.6 -39.58 93.99 Favored 'General case' 0 C--O 1.235 0.331 0 O-C-N 123.22 0.325 . . . . 0.0 110.507 179.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -68.82 -39.84 79.82 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.054 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.485 ' CE ' HG12 ' C' ' 655' ' ' VAL . 74.5 mtm -64.9 -39.25 93.24 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -64.19 -43.71 94.25 Favored 'General case' 0 C--O 1.233 0.218 0 O-C-N 123.196 0.31 . . . . 0.0 110.91 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -64.48 -44.96 89.34 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.99 -41.62 86.43 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 35.9 mt -63.13 -39.25 94.13 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.787 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 81.5 mm-40 -61.87 -43.16 99.41 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.318 0.386 . . . . 0.0 110.774 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -67.18 -40.16 86.52 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 66.4 tt0 -66.57 -45.1 80.38 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.397 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -69.14 -32.72 72.27 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -59.77 -43.42 94.35 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -64.27 -37.8 88.79 Favored 'General case' 0 C--O 1.226 -0.143 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.474 179.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 72.2 mtp85 -64.09 -40.85 97.13 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.405 0.441 . . . . 0.0 111.199 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -62.62 -46.83 86.43 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.235 0.334 . . . . 0.0 110.113 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.509 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.1 tm? -66.43 -41.54 89.05 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.688 ' HB1' ' CG2' ' B' ' 70' ' ' VAL . . . -59.51 -41.34 89.7 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.568 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 31.7 tp -61.89 -38.09 87.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.922 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -61.58 -43.39 98.95 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.506 HD12 HD11 ' B' ' 44' ' ' ILE . 72.7 mt -64.65 -41.56 96.03 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.178 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.9 tp60 -59.48 -42.67 92.64 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -71.02 -42.75 69.15 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.357 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 49.2 mtm -63.21 -44.23 95.9 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 123.15 0.281 . . . . 0.0 111.439 -179.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.563 ' C ' HD12 ' B' ' 73' ' ' LEU . 25.3 m-85 -62.5 -41.87 99.11 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.178 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -69.55 -33.84 73.35 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.412 0.445 . . . . 0.0 110.416 178.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -60.49 -40.43 91.3 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.385 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -54.91 -37.44 66.37 Favored 'General case' 0 N--CA 1.464 0.241 0 O-C-N 123.453 0.471 . . . . 0.0 110.348 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.53 ' HD2' HD13 ' B' ' 73' ' ' LEU . 79.0 mtp180 -64.0 -33.49 75.85 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.867 179.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 71.53 59.43 0.16 Allowed 'General case' 0 N--CA 1.47 0.535 0 O-C-N 123.894 0.746 . . . . 0.0 110.494 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 39.7 m -127.57 129.99 48.29 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.119 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 18.3 t -72.17 103.72 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.093 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 30.4 p -76.83 163.46 26.75 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.696 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -120.17 -176.48 3.21 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.389 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -46.28 128.56 9.86 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.048 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -64.54 -41.53 96.3 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.581 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -62.51 151.01 46.92 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 58.1 m -132.36 157.26 44.94 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 120.555 0.217 . . . . 0.0 110.508 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 15.0 p -120.77 132.99 68.88 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.153 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 53.49 98.32 0.01 OUTLIER 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.92 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -58.77 -46.59 87.15 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.295 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.446 ' HB3' ' HB1' ' A' ' 149' ' ' ALA . 36.6 m-85 -117.63 141.9 47.84 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.126 179.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 60.7 mt -74.68 140.9 44.53 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.628 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 59.3 mt -129.7 155.21 46.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -117.42 118.7 32.94 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.069 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 10.3 t -152.91 94.28 1.84 Allowed 'General case' 0 C--O 1.236 0.363 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 18.2 t -64.59 -40.57 95.75 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.47 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -90.72 142.98 27.2 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.565 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 75.2 mtm -63.64 -42.59 98.11 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.595 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -150.97 148.63 28.62 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.535 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -67.72 -36.76 88.07 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.9 74.69 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-O 120.484 0.183 . . . . 0.0 110.634 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 59.7 tttm . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.974 -1.012 . . . . 0.0 110.383 179.816 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.7 mtp85 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -115.3 157.44 23.79 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.626 -179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -78.32 175.49 10.19 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.898 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 6.5 t -103.46 97.06 7.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.73 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -105.29 -2.53 23.88 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.712 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 77.8 p -63.09 -41.54 99.43 Favored 'General case' 0 C--N 1.344 0.365 0 CA-C-O 120.91 0.386 . . . . 0.0 110.826 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.7 mt -65.93 -42.8 92.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.387 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.673 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -64.89 -43.8 91.7 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.137 -178.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG23 ' CG2' ' A' ' 148' ' ' THR . 8.1 p -63.9 -38.24 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.414 ' CD2' ' HE1' ' A' ' 35' ' ' MET . 2.8 t80 -57.5 -40.1 77.94 Favored 'General case' 0 N--CA 1.452 -0.34 0 O-C-N 123.383 0.427 . . . . 0.0 109.986 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -61.98 -42.08 98.74 Favored 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.182 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.562 HG22 ' HH ' ' C' ' 697' ' ' TYR . 76.9 t -59.9 -42.3 88.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.071 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.597 HD22 ' HB ' ' A' ' 30' ' ' ILE . 44.8 tp -61.98 -37.94 86.7 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.638 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -62.99 -38.2 90.2 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 112.327 0.491 . . . . 0.0 112.327 -178.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.44 -37.09 21.84 Favored 'General case' 0 N--CA 1.49 1.55 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.631 -178.342 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG12 ' HA ' ' A' ' 21' ' ' LEU . 3.3 p -79.2 -34.83 16.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 N-CA-C 112.179 0.437 . . . . 0.0 112.179 -178.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -151.19 78.26 7.22 Favored Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.521 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -56.26 -41.74 73.35 Favored 'Trans proline' 0 N--CA 1.503 2.05 0 C-N-CA 122.349 2.033 . . . . 0.0 113.141 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -67.9 -45.79 73.42 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.9 m -86.11 127.35 34.68 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.53 -0.304 . . . . 0.0 111.0 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -99.75 -173.59 30.65 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.597 ' HB ' HD22 ' A' ' 21' ' ' LEU . 16.1 tt -129.21 142.15 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 120.84 0.352 . . . . 0.0 110.401 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.3 t -80.02 154.51 28.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.124 179.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -58.58 -30.89 67.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 121.202 -0.936 . . . . 0.0 109.781 -177.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.91 -46.04 79.72 Favored 'General case' 0 C--N 1.35 0.596 0 CA-C-O 120.448 0.166 . . . . 0.0 110.826 177.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.496 ' HB3' ' CG1' ' A' ' 30' ' ' ILE . . . -66.67 -37.01 83.89 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.178 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.414 ' HE1' ' CD2' ' A' ' 18' ' ' TYR . 4.1 ttt -62.37 -43.55 98.56 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.403 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.44 -41.62 84.43 Favored Glycine 0 CA--C 1.53 0.992 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.78 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.9 -43.21 98.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 N-CA-C 109.805 -0.442 . . . . 0.0 109.805 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.522 ' SD ' HD21 ' A' ' 152' ' ' LEU . 67.6 mtp -62.72 -38.26 89.78 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.199 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -61.97 -41.86 98.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 109.919 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.0 m -65.17 -35.2 80.35 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.445 178.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CE1' HD21 ' A' ' 186' ' ' LEU . 60.7 t80 -61.49 -44.1 97.69 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.78 179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -59.93 -45.03 95.67 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.8 m-20 -63.56 -41.69 98.4 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.503 0.502 . . . . 0.0 111.182 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -63.88 -44.79 91.98 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.349 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.465 HG22 HD12 ' A' ' 49' ' ' ILE . 36.4 mm -63.18 -42.46 96.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.361 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.473 ' CZ ' HD23 ' A' ' 122' ' ' LEU . 83.1 t80 -57.41 -45.66 84.35 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.374 0.421 . . . . 0.0 110.622 -179.393 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -65.46 -43.61 89.8 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.357 0.411 . . . . 0.0 111.798 -178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -63.57 -46.33 86.34 Favored 'General case' 0 N--CA 1.465 0.295 0 O-C-N 123.203 0.314 . . . . 0.0 111.451 -179.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.465 HD12 HG22 ' A' ' 45' ' ' ILE . 89.7 mt -66.91 -43.08 89.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.02 -41.2 82.66 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 -178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.29 -43.05 95.81 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -66.95 -43.77 82.29 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 110.355 -0.239 . . . . 0.0 110.355 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.56 -39.64 94.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.476 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.2 t -62.39 -44.31 96.75 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.49 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -62.72 -41.8 99.33 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.067 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.35 -42.41 98.65 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.637 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.41 -36.53 82.64 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 123.315 0.384 . . . . 0.0 110.356 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -66.33 -42.4 88.22 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.332 -0.394 . . . . 0.0 109.962 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.5 t80 -60.05 -42.24 94.02 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.974 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 69.8 m-80 -91.36 -0.98 57.73 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 73.0 tttt 54.93 41.44 31.9 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 120.93 0.395 . . . . 0.0 111.283 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -100.93 117.51 35.12 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.263 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 65.0 m -62.76 -39.08 93.05 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.431 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 19.6 m -99.47 136.8 38.88 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.115 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 92.9 mt -97.37 134.37 35.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.8 p -125.37 176.11 7.01 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.079 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.3 m -54.98 -32.5 61.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.814 -179.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -60.44 -43.65 96.61 Favored 'General case' 0 C--O 1.238 0.453 0 O-C-N 123.051 0.219 . . . . 0.0 111.502 -178.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.8 mp0 -66.38 -43.05 87.01 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 74' ' ' VAL . 86.7 mt -65.03 -39.51 85.92 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.611 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.633 ' NE2' HG22 ' A' ' 87' ' ' VAL . 59.6 tp60 -55.36 -47.18 76.14 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 123.092 0.245 . . . . 0.0 110.666 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 89.9 m -62.05 -44.16 97.27 Favored 'General case' 0 CA--C 1.534 0.34 0 O-C-N 123.204 0.315 . . . . 0.0 110.182 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.08 97.18 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.982 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 70' ' ' ILE . 87.7 t -64.93 -45.32 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.75 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -62.72 -38.44 90.47 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.62 -178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 81.0 mt -71.54 -33.36 69.07 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.353 0.501 . . . . 0.0 112.353 -178.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 70.1 mt -85.26 -35.91 21.24 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 9.8 mp -88.66 135.4 32.38 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -51.46 179.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.504 2.115 0 C-N-CA 122.327 2.018 . . . . 0.0 111.861 178.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -59.34 -49.71 75.6 Favored Glycine 0 CA--C 1.534 1.25 0 CA-C-O 120.095 -0.281 . . . . 0.0 113.172 -178.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -68.74 -41.35 79.08 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 116.942 0.371 . . . . 0.0 111.702 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.2 -41.49 99.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.204 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.737 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -64.7 -41.2 96.18 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 123.409 0.443 . . . . 0.0 111.624 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.92 -48.69 80.67 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.249 0.343 . . . . 0.0 110.862 -178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -72.12 -36.45 69.42 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.434 0.459 . . . . 0.0 111.017 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.53 -36.83 85.08 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.311 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 83' ' ' ALA . 65.8 t -60.68 -45.07 98.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.247 -179.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.9 m -64.22 -40.01 95.16 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -64.46 -48.19 76.21 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 124.366 1.067 . . . . 0.0 111.913 -174.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -71.69 -44.77 47.74 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 121.492 -0.385 . . . . 0.0 112.295 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 18.2 m -61.18 -46.82 88.91 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.353 0.12 . . . . 0.0 111.148 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -63.01 -37.25 86.41 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.481 0.488 . . . . 0.0 110.945 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.43 -41.97 86.22 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 64.6 t -69.21 -40.51 80.5 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.1 m -59.64 -43.99 93.66 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.325 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -60.05 -38.27 82.31 Favored 'General case' 0 N--CA 1.461 0.095 0 O-C-N 123.292 0.37 . . . . 0.0 110.103 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -60.92 -45.58 94.1 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.3 m -64.9 -42.58 94.64 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.574 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.6 t -73.44 -35.38 65.77 Favored 'General case' 0 N--CA 1.439 -1.001 0 O-C-N 121.569 -0.707 . . . . 0.0 110.982 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 67.4 m -98.97 110.55 23.14 Favored 'General case' 0 C--N 1.344 0.367 0 O-C-N 121.807 -0.558 . . . . 0.0 110.975 -177.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.99 -20.43 9.37 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.809 179.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 79.4 p -63.64 -33.01 74.66 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.786 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.571 ' HB3' ' CG ' ' A' ' 109' ' ' ARG . . . -48.0 138.37 9.17 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.349 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -84.57 -55.62 4.03 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.152 -178.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.9 m -77.87 159.03 29.18 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.911 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.45 -42.01 88.24 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.142 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 80.5 p -65.41 -32.77 74.57 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.721 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.466 ' HB3' ' HB1' ' A' ' 103' ' ' ALA . 45.3 t -62.67 -41.2 98.96 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.969 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.571 ' CG ' ' HB3' ' A' ' 103' ' ' ALA . 99.8 mtt180 -63.91 -35.77 81.75 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.17 -36.21 40.72 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.68 28.28 43.5 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.466 HD13 ' HB3' ' A' ' 141' ' ' ALA . 76.4 mt -107.6 140.72 40.19 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.588 0.232 . . . . 0.0 110.473 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -66.82 -40.43 88.04 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.527 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -62.78 146.25 95.01 Favored Pre-proline 0 CA--C 1.541 0.615 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.639 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 119' ' ' VAL . 38.6 Cg_endo -69.41 103.1 1.05 Allowed 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 121.993 1.796 . . . . 0.0 112.131 -179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 138' ' ' VAL . 83.5 t -64.68 -42.31 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.422 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.64 -42.42 97.82 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 111.998 -0.441 . . . . 0.0 111.998 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -65.36 -37.43 87.02 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 116.55 0.175 . . . . 0.0 111.312 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 115' ' ' PRO . 86.1 t -60.18 -45.49 95.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.52 -47.72 83.2 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.276 0.36 . . . . 0.0 110.531 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -67.56 -37.68 83.01 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.933 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.473 HD23 ' CZ ' ' A' ' 46' ' ' PHE . 14.8 tp -61.0 -42.58 98.71 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.15 -178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.4 mt -61.97 -42.42 99.11 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.245 0.341 . . . . 0.0 110.738 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.6 ttp180 -64.64 -40.94 96.33 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.51 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.84 -39.56 94.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.558 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.12 -4.49 22.45 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 111.881 -0.488 . . . . 0.0 111.881 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 57.08 30.71 18.72 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.863 0.331 . . . . 0.0 111.619 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -68.62 -39.87 80.63 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.421 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 33.2 p -151.48 161.47 42.64 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.564 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -68.31 -39.32 82.05 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 54.4 ttp180 -136.49 149.69 48.31 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.009 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 61.8 t -129.55 137.17 57.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -74.64 -176.21 36.16 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -90.08 -52.5 4.92 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.732 0.301 . . . . 0.0 110.686 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.34 -27.51 69.46 Favored Glycine 0 CA--C 1.532 1.098 0 N-CA-C 111.46 -0.656 . . . . 0.0 111.46 179.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.496 ' HB3' ' CD ' ' A' ' 137' ' ' PRO . . . -58.75 -62.09 6.43 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.474 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.496 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 17.7 Cg_endo -60.12 -32.22 94.35 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 C-N-CA 121.877 1.718 . . . . 0.0 111.593 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.523 HG22 HG11 ' A' ' 116' ' ' VAL . 89.5 t -64.54 -44.16 96.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -60.44 -45.92 91.92 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.451 HD21 ' CD2' ' A' ' 46' ' ' PHE . 42.0 tp -61.34 -41.12 96.52 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.49 0.494 . . . . 0.0 110.288 -179.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.466 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -60.02 -39.13 84.79 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.4 0.438 . . . . 0.0 110.664 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.0 -40.17 94.54 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 60.7 t -61.8 -46.36 96.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 116.287 -0.415 . . . . 0.0 109.919 -179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 73.3 mt -63.46 -41.45 98.63 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.433 0.458 . . . . 0.0 110.64 -179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -62.63 -43.6 98.4 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.281 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -62.35 -48.15 81.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.266 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.74 -41.07 98.09 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.374 -179.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.416 ' CG2' HG23 ' A' ' 17' ' ' VAL . 84.5 m -61.85 -46.05 91.15 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.685 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.81 -36.96 83.58 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.561 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -67.45 -42.73 82.62 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.488 -178.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.4 mt -63.62 -43.65 98.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 O-C-N 123.295 0.372 . . . . 0.0 110.138 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.522 HD21 ' SD ' ' A' ' 38' ' ' MET . 86.3 mt -62.92 -40.28 97.13 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.764 -178.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -60.97 -48.39 82.06 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.164 0.29 . . . . 0.0 110.792 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.627 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 79.9 mt -64.14 -41.36 97.23 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.478 179.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.629 ' HB1' HG23 ' A' ' 167' ' ' ILE . . . -62.44 -37.25 85.16 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.386 179.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.66 -41.46 99.59 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -62.87 -42.38 99.74 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.53 -47.15 86.65 Favored 'General case' 0 C--O 1.234 0.249 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.13 -36.92 85.78 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.86 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -62.09 -43.0 99.78 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.129 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -67.1 -23.2 65.81 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.976 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -96.14 12.46 30.69 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.851 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 97.5 mttt 56.13 38.37 29.8 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 121.022 0.439 . . . . 0.0 111.16 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -115.5 147.79 40.23 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.581 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 42.9 p -107.01 22.62 15.71 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.397 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 61.6 ttm-85 -144.98 144.03 30.83 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.291 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.629 HG23 ' HB1' ' A' ' 155' ' ' ALA . 64.0 mt -96.23 125.75 49.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 25.2 pt -120.13 166.2 15.83 Favored Pre-proline 0 CA--C 1.544 0.739 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.221 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -51.77 -34.43 54.49 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.325 2.017 . . . . 0.0 112.191 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.69 -43.07 99.75 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 40.9 m170 -64.74 -43.81 92.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.551 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.607 HD23 ' HB2' ' A' ' 155' ' ' ALA . 62.1 mt -62.13 -42.3 99.1 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.944 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 44.8 tp60 -65.68 -41.79 92.01 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.266 0.354 . . . . 0.0 110.835 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 65.7 mt -63.44 -43.16 98.19 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.205 -179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.627 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -65.48 -45.57 83.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.056 -179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.551 HD13 ' CD1' ' A' ' 186' ' ' LEU . 97.4 mt -64.75 -43.94 96.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.237 -179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -64.64 -34.21 77.76 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 -76.32 -16.03 59.85 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 123.239 0.337 . . . . 0.0 111.758 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -106.79 113.36 26.81 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 68.8 tt0 -60.92 -40.16 92.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.327 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.87 -48.2 82.89 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.283 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.94 -34.78 78.75 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.099 179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -60.21 -39.63 87.25 Favored 'General case' 0 CA--C 1.531 0.232 0 O-C-N 123.579 0.549 . . . . 0.0 109.734 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.7 -45.22 93.76 Favored 'General case' 0 C--N 1.344 0.335 0 O-C-N 123.243 0.34 . . . . 0.0 110.329 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.4 tp -64.89 -41.17 95.85 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.598 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.551 ' CD1' HD13 ' A' ' 176' ' ' ILE . 89.1 mt -98.4 20.8 12.04 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.166 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.33 -33.9 72.48 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.419 -0.672 . . . . 0.0 111.419 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -94.11 5.82 50.51 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 111.941 0.348 . . . . 0.0 111.941 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 74.0 t -129.98 125.65 60.77 Favored 'Isoleucine or valine' 0 C--N 1.343 0.301 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 41.7 m -124.6 129.78 51.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.756 179.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 71.4 mt -121.38 128.07 75.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.932 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -167.44 -59.38 0.03 OUTLIER 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.675 179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 59.25 161.71 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.349 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.727 0 CA-C-O 117.982 -1.454 . . . . 0.0 110.98 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 14.4 ttp . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -105.45 135.78 46.21 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.311 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.402 HD13 HG21 ' B' ' 17' ' ' VAL . 29.9 pt -133.22 158.15 42.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.232 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -114.24 133.73 55.42 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.9 t -111.36 125.06 68.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -111.8 152.34 27.98 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.141 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 72.5 p -125.78 166.7 16.34 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.709 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 76.8 mt -66.77 -20.14 65.89 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 123.364 0.415 . . . . 0.0 111.195 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 55.6 p -69.56 -24.67 63.74 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 120.072 -1.643 . . . . 0.0 111.199 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.23 2.58 38.59 Favored Glycine 0 C--N 1.356 1.65 0 O-C-N 121.245 -0.909 . . . . 0.0 112.795 -174.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -89.02 151.75 22.09 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 117.214 0.507 . . . . 0.0 110.141 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 25.5 m -132.2 132.84 43.52 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.427 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 47.1 pt -124.78 136.6 60.2 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.11 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -80.63 133.19 35.7 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 tp -137.24 140.23 41.52 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 122.047 -0.408 . . . . 0.0 110.765 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -107.07 117.62 34.55 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.26 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.402 HG21 HD13 ' B' ' 3' ' ' ILE . 32.1 m -137.73 160.9 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.904 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -103.05 150.13 37.54 Favored Pre-proline 0 CA--C 1.544 0.734 0 O-C-N 123.318 0.386 . . . . 0.0 110.54 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -57.75 -30.51 89.4 Favored 'Trans proline' 0 N--CA 1.505 2.175 0 C-N-CA 122.374 2.049 . . . . 0.0 112.513 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 25.0 t -79.82 -17.0 54.39 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.58 149.88 47.98 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.025 0.203 . . . . 0.0 110.801 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 17.3 p -85.2 158.94 20.22 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.84 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.2 mm -65.11 -42.2 93.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.935 179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -54.7 -39.94 68.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.186 0.304 . . . . 0.0 110.298 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 84.9 m-20 -64.05 -39.18 93.52 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.149 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 66.9 t -61.31 -43.49 96.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.769 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' B' ' 30' ' ' ILE . 53.3 mttp -58.83 -40.2 83.49 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.013 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.69 87.51 Favored 'General case' 0 C--O 1.236 0.369 0 O-C-N 123.289 0.368 . . . . 0.0 110.545 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.88 -38.8 92.34 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.196 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.428 HD12 ' HA ' ' B' ' 27' ' ' LYS . 84.7 mt -62.44 -42.05 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -57.29 -36.97 71.72 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.21 -35.28 80.03 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.249 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -91.16 -35.26 14.65 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 113.957 1.095 . . . . 0.0 113.957 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.694 ' HB3' HG12 ' B' ' 36' ' ' ILE . 33.1 mm-40 -101.71 -39.58 7.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 126.558 1.943 . . . . 0.0 116.128 174.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.12 31.19 20.76 Favored Glycine 0 C--N 1.356 1.662 0 C-N-CA 124.498 1.047 . . . . 0.0 111.779 -170.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.694 HG12 ' HB3' ' B' ' 34' ' ' GLU . 32.2 mm -93.31 116.56 66.66 Favored Pre-proline 0 CA--C 1.548 0.894 0 CA-C-O 118.948 -0.549 . . . . 0.0 110.703 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 1.7 Cg_endo -43.88 113.64 0.44 Allowed 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.39 2.06 . . . . 0.0 111.646 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_exo -52.52 -39.32 74.97 Favored 'Trans proline' 0 N--CA 1.505 2.179 0 C-N-CA 122.401 2.067 . . . . 0.0 113.175 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -66.92 -35.12 79.28 Favored 'General case' 0 N--CA 1.43 -1.458 0 C-N-CA 118.521 -1.272 . . . . 0.0 108.528 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -87.36 11.43 14.48 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.967 -171.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -128.0 149.66 50.26 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-O 120.658 0.266 . . . . 0.0 110.89 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 31.0 mtt-85 -115.87 144.43 44.05 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.122 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 43' ' ' LEU . 38.0 mt -111.5 129.94 55.88 Favored 'General case' 0 CA--C 1.518 -0.283 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.639 HD11 HD12 ' C' ' 676' ' ' LEU . 90.1 mt -124.43 131.37 72.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.191 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.875 -178.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.444 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 82.6 t80 -126.8 123.77 38.15 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 177.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 71.94 14.46 5.83 Favored 'General case' 0 N--CA 1.485 1.281 0 O-C-N 123.082 0.238 . . . . 0.0 110.897 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.66 14.98 64.41 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 120.179 -0.234 . . . . 0.0 113.549 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -124.26 136.21 53.97 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.475 HE21 HD13 ' C' ' 676' ' ' LEU . 96.7 mt-30 -54.25 161.64 1.27 Allowed 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 79.5 mt -124.88 136.37 53.73 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.471 0.482 . . . . 0.0 111.082 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -82.69 134.73 35.14 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.962 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.68 -39.27 93.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.888 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.5 -12.94 77.59 Favored Glycine 0 CA--C 1.535 1.283 0 CA-C-N 115.978 -0.555 . . . . 0.0 113.144 -178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -91.54 157.42 17.02 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 117.258 0.529 . . . . 0.0 110.984 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.2 p -102.06 167.43 10.03 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.604 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 73.6 mt -61.3 -41.83 97.64 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.429 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -57.96 -31.03 66.49 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.357 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -61.71 -35.25 77.48 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.242 0.339 . . . . 0.0 111.131 -179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -92.1 13.1 19.88 Favored 'General case' 0 CA--C 1.536 0.434 0 O-C-N 123.335 0.397 . . . . 0.0 111.89 179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 55.7 46.5 22.45 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.125 0.488 . . . . 0.0 111.044 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 71.8 mt -93.24 124.71 45.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 179.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -107.95 -175.36 2.76 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.883 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -53.64 147.52 11.22 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.356 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 58.86 86.04 0.09 Allowed 'General case' 0 N--CA 1.469 0.523 0 O-C-N 123.394 0.433 . . . . 0.0 110.315 -179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 81.2 p -130.92 156.49 44.98 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.504 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.8 m -115.11 122.5 46.32 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.337 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 86.3 mt -115.74 129.0 56.29 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.135 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -94.77 147.6 23.17 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.148 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.2 tp -110.54 129.86 55.7 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.162 0.506 . . . . 0.0 111.459 -178.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.687 HG22 ' HB1' ' C' ' 673' ' ' ALA . 21.5 t -128.74 165.08 29.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.523 178.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.496 ' N ' HG12 ' B' ' 70' ' ' VAL . 13.3 tp -108.74 116.27 31.66 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.75 0.278 . . . . 0.0 111.75 -178.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -86.01 134.04 33.88 Favored 'General case' 0 N--CA 1.444 -0.749 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' C' ' 684' ' ' ARG . 43.7 mt -116.37 70.06 0.76 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.061 -179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -141.33 144.33 34.52 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.755 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 65.46 -166.52 34.31 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.614 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 109.67 -1.372 . . . . 0.0 109.67 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -120.84 29.19 7.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 120.835 0.35 . . . . 0.0 110.926 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 65.3 mtt -95.98 19.92 10.84 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.245 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . 0.531 ' HB2' HD12 ' C' ' 656' ' ' LEU . 0.3 OUTLIER -72.95 138.91 79.55 Favored Pre-proline 0 CA--C 1.551 1.007 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.408 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -55.94 -39.27 92.2 Favored 'Trans proline' 0 N--CA 1.507 2.313 0 C-N-CA 122.745 2.296 . . . . 0.0 112.852 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.486 HG12 ' CE ' ' C' ' 659' ' ' MET . 57.6 t -59.9 -40.16 82.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.353 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.556 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 41.6 mt -60.16 -42.05 94.12 Favored 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.153 0.283 . . . . 0.0 110.493 -179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.3 mtt85 -63.84 -41.86 97.72 Favored 'General case' 0 C--O 1.238 0.473 0 O-C-N 123.333 0.395 . . . . 0.0 110.269 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -67.28 -38.78 85.63 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.617 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.556 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 72.2 mtm -65.37 -37.43 86.99 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.62 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -60.97 -44.4 97.37 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.189 0.306 . . . . 0.0 110.627 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -63.93 -44.68 92.14 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 123.425 0.453 . . . . 0.0 110.584 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -65.45 -39.16 91.72 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.804 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 24.5 mt -63.46 -36.74 84.75 Favored 'General case' 0 CA--C 1.527 0.076 0 O-C-N 123.443 0.464 . . . . 0.0 110.659 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -61.43 -44.65 96.75 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.25 0.344 . . . . 0.0 110.329 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -74.66 -37.35 62.75 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.571 0.544 . . . . 0.0 110.782 179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -64.03 -45.88 86.92 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.232 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -64.23 -35.25 80.22 Favored 'General case' 0 CA--C 1.52 -0.174 0 O-C-N 123.484 0.49 . . . . 0.0 110.572 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.82 -46.19 91.5 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.0 -38.51 75.98 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.044 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -64.57 -39.53 93.91 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.701 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -64.62 -45.57 86.32 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.198 0.311 . . . . 0.0 110.268 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.468 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -67.03 -41.18 87.01 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.687 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -62.66 -38.67 91.21 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.633 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.99 -38.22 87.78 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.048 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -62.26 -42.25 99.17 Favored 'General case' 0 C--O 1.232 0.173 0 O-C-N 123.315 0.384 . . . . 0.0 110.266 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.639 HD12 HD11 ' B' ' 44' ' ' ILE . 85.2 mt -64.23 -43.34 95.23 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.278 178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -60.09 -42.57 94.9 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.168 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -70.31 -41.53 73.16 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.58 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 49.7 mtm -63.49 -46.42 86.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.548 -179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.454 ' C ' HD12 ' B' ' 73' ' ' LEU . 37.7 m-85 -65.05 -40.54 94.88 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -66.29 -34.91 79.05 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.767 179.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -63.63 -37.28 86.74 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.749 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 92.1 mt-10 -54.21 -44.08 71.32 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.16 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.552 ' CZ ' HD22 ' B' ' 73' ' ' LEU . 87.2 mtt180 -65.89 -38.85 89.83 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.692 0.62 . . . . 0.0 111.245 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 50.65 94.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.032 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 18.7 p -114.46 159.08 20.74 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.555 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 51.0 t -62.76 -44.54 99.57 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.025 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 28.3 m -106.74 157.18 17.92 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.366 0.416 . . . . 0.0 110.882 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -73.85 148.49 42.33 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.299 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -90.4 -4.19 57.21 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.445 179.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -62.96 -41.0 99.39 Favored 'General case' 0 C--N 1.344 0.336 0 CA-C-O 120.492 0.187 . . . . 0.0 110.579 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 77.74 -129.88 9.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 45.0 p -143.91 165.13 28.6 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.563 0.221 . . . . 0.0 110.511 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 59.6 t -61.52 -46.71 96.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.93 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -91.76 111.02 22.38 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -84.93 -34.92 22.39 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.518 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.562 ' HH ' HG22 ' A' ' 20' ' ' VAL . 31.4 m-85 -79.09 138.13 37.81 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.259 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 22.8 tp -92.35 139.7 30.34 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.186 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 70.2 mt -130.89 151.08 51.69 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.206 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 59.1 mtm180 -60.68 -35.82 77.2 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.738 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 24.4 t -58.7 -41.49 86.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.564 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 15.4 m -91.17 82.74 5.5 Favored 'General case' 0 C--O 1.238 0.478 0 O-C-N 123.441 0.463 . . . . 0.0 110.549 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -64.47 -44.1 92.09 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.723 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 62.5 mtt -67.02 -38.38 85.82 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.7 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 53.78 55.96 7.79 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.715 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 125.44 151.45 7.98 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -60.62 -43.69 97.2 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 120.592 0.234 . . . . 0.0 110.579 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.561 179.754 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -130.47 148.22 52.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.67 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -112.68 122.4 47.55 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.3 p -104.98 81.33 1.72 Allowed 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.246 0.546 . . . . 0.0 110.133 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -99.56 30.23 3.69 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.361 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.453 ' O ' HG12 ' A' ' 17' ' ' VAL . 68.4 m -59.98 -42.91 95.19 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.031 0.443 . . . . 0.0 110.355 179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.14 -42.05 84.63 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -64.07 -43.43 95.49 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.047 -178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 14' ' ' SER . 11.9 p -62.45 -36.44 74.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -57.51 -42.14 82.21 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -59.51 -42.1 91.44 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.596 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.15 -40.85 87.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 N-CA-C 109.441 -0.578 . . . . 0.0 109.441 178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.548 ' HA ' HG12 ' A' ' 24' ' ' VAL . 33.2 tp -59.93 -36.12 76.37 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.794 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -65.49 -38.71 90.55 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.33 -35.95 34.86 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.113 -178.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 21' ' ' LEU . 3.4 p -79.54 -35.49 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -176.5 91.76 0.26 Allowed Pre-proline 0 CA--C 1.548 0.884 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_endo -68.37 -23.15 38.49 Favored 'Trans proline' 0 N--CA 1.501 1.954 0 C-N-CA 122.227 1.951 . . . . 0.0 113.148 -179.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -66.28 -38.85 88.77 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.656 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.431 ' O ' HD21 ' A' ' 21' ' ' LEU . 17.2 p -89.06 138.95 30.95 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.925 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.02 179.19 23.13 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.465 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 17.8 tt -138.17 142.44 35.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-O 120.8 0.333 . . . . 0.0 110.574 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.3 p -81.97 159.19 23.62 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.302 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.0 m -62.58 -33.3 74.69 Favored 'General case' 0 CA--C 1.499 -1.018 0 C-N-CA 124.184 0.994 . . . . 0.0 110.51 -177.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -65.55 -40.02 92.38 Favored 'General case' 0 C--N 1.348 0.509 0 C-N-CA 123.498 0.719 . . . . 0.0 110.222 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HB1' HD11 ' A' ' 172' ' ' LEU . . . -64.35 -35.61 81.43 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.066 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 14.7 mmm -61.3 -44.39 97.29 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-O 120.899 0.38 . . . . 0.0 110.017 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.42 -41.72 99.75 Favored Glycine 0 CA--C 1.525 0.716 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.92 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.81 -44.36 98.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.25 -35.29 80.03 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.367 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.17 -41.19 99.19 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 179.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.0 m -68.45 -32.54 72.62 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.886 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' CZ ' HD11 ' A' ' 151' ' ' ILE . 62.8 t80 -60.76 -43.91 97.42 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.95 -43.37 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.941 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -63.15 -41.6 99.31 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.526 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.26 -48.58 81.12 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.172 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.556 HD13 HD13 ' A' ' 147' ' ' LEU . 96.6 mt -64.7 -41.89 93.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.953 179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.41 ' CD1' HD21 ' A' ' 140' ' ' LEU . 92.2 t80 -56.14 -47.26 78.52 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.672 -178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.7 tt0 -67.63 -41.86 83.22 Favored 'General case' 0 N--CA 1.451 -0.385 0 O-C-N 123.174 0.296 . . . . 0.0 111.554 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -63.71 -45.98 87.51 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.211 0.319 . . . . 0.0 111.729 -178.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.471 HD12 HG22 ' A' ' 45' ' ' ILE . 96.5 mt -65.56 -42.74 93.68 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 O-C-N 123.26 0.35 . . . . 0.0 110.071 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.05 71.84 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.323 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.79 -43.77 82.73 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -65.21 -41.02 94.89 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 110.37 -0.233 . . . . 0.0 110.37 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.77 93.15 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.59 179.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.7 p -61.83 -41.14 97.43 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.348 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 76.9 ttt-85 -62.05 -41.57 98.27 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.88 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.04 -40.06 94.46 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.811 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -62.04 -37.73 86.05 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.29 0.368 . . . . 0.0 110.343 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -62.33 -44.49 96.39 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.162 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -63.24 -41.1 99.03 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.566 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -86.59 0.24 54.8 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.755 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.7 tttt 53.56 34.03 17.63 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 120.789 0.328 . . . . 0.0 111.004 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.423 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 96.2 mtt-85 -100.55 115.39 30.03 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.307 179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 18.0 p -64.46 -39.58 94.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.338 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.4 m -94.7 132.5 39.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.788 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 80.0 mt -93.34 134.77 29.98 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 72.3 p -125.85 176.62 6.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.919 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 86.8 p -54.85 -32.03 60.19 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.962 -178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -61.26 -43.99 97.97 Favored 'General case' 0 C--O 1.235 0.336 0 O-C-N 123.086 0.241 . . . . 0.0 111.421 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 mp0 -66.95 -43.81 82.22 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 120.61 0.243 . . . . 0.0 110.8 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.506 HD11 ' HB1' ' A' ' 136' ' ' ALA . 89.7 mt -63.86 -42.39 95.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.837 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -56.23 -42.22 76.94 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.339 0.4 . . . . 0.0 110.861 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.6 m -62.3 -45.91 91.13 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.296 0.372 . . . . 0.0 110.257 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.84 90.63 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.546 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 70' ' ' ILE . 65.4 t -62.92 -46.01 97.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.538 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 72.0 ttt-85 -63.37 -38.85 92.74 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 123.168 0.292 . . . . 0.0 111.526 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 74.2 mt -71.98 -34.23 68.77 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 56.6 mt -83.3 -37.69 23.11 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -178.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.24 147.5 53.66 Favored Pre-proline 0 CA--C 1.544 0.742 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -55.2 166.07 2.56 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.313 2.009 . . . . 0.0 111.71 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.26 90.7 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.504 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -66.98 -45.03 78.94 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.861 0.33 . . . . 0.0 111.256 -179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.31 -38.34 90.71 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.724 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.569 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -60.56 -42.41 96.57 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.438 0.461 . . . . 0.0 111.626 -178.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -61.18 -47.91 83.98 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.066 0.229 . . . . 0.0 111.044 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -71.89 -36.66 70.12 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.628 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.08 -37.95 84.5 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.274 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 83' ' ' ALA . 74.4 t -62.19 -43.16 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.3 t -63.36 -39.91 95.82 Favored 'General case' 0 N--CA 1.432 -1.346 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -68.0 -45.69 73.37 Favored 'General case' 0 C--N 1.349 0.585 0 C-N-CA 123.971 0.909 . . . . 0.0 111.662 -177.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.0 -40.53 95.28 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.8 m -61.98 -42.35 99.04 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -59.44 -41.2 89.08 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.354 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.8 -42.81 99.48 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.171 0.294 . . . . 0.0 110.249 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.3 -44.94 94.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.0 m -61.04 -42.9 99.35 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.197 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -61.03 -40.27 92.94 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.45 ' CZ ' ' CZ ' ' A' ' 109' ' ' ARG . 69.4 t80 -64.01 -42.84 97.0 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.4 p -70.76 -36.24 73.0 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.89 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.4 m -80.83 -30.27 35.81 Favored 'General case' 0 CA--C 1.495 -1.138 0 C-N-CA 127.015 2.126 . . . . 0.0 112.422 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 31.0 p -52.68 -80.21 0.01 OUTLIER 'General case' 0 C--N 1.36 1.024 0 C-N-CA 123.475 0.71 . . . . 0.0 111.192 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 70.53 -63.31 0.41 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 122.508 0.323 . . . . 0.0 111.341 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 82.6 p -56.67 -41.4 77.21 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.076 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.612 ' HB3' ' HG2' ' A' ' 109' ' ' ARG . . . -58.27 147.25 31.31 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.516 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -104.43 -44.17 4.99 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.382 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 4.9 m -70.47 146.9 49.98 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.771 -179.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -65.56 -42.16 92.17 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.473 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.1 p -68.06 -39.29 83.03 Favored 'General case' 0 N--CA 1.464 0.248 0 O-C-N 123.227 0.33 . . . . 0.0 111.022 -179.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.2 p -62.21 -40.37 95.9 Favored 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.358 0.411 . . . . 0.0 111.082 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.612 ' HG2' ' HB3' ' A' ' 103' ' ' ALA . 79.8 mtp180 -64.17 -34.74 78.78 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.751 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.89 -28.57 27.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.151 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.64 20.95 79.86 Favored Glycine 0 CA--C 1.531 1.068 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' ' 141' ' ' ALA . 76.7 mt -97.36 130.14 44.54 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -57.91 -44.29 86.73 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.608 -179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -62.87 134.44 95.6 Favored Pre-proline 0 CA--C 1.543 0.696 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.481 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.413 ' O ' HG23 ' A' ' 119' ' ' VAL . 31.2 Cg_exo -56.11 106.72 0.22 Allowed 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 122.053 1.835 . . . . 0.0 111.992 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.523 HG11 HG22 ' A' ' 138' ' ' VAL . 89.6 t -65.19 -42.29 93.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.352 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.387 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.23 -42.9 93.65 Favored Glycine 0 CA--C 1.529 0.914 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 -178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 78.0 mtp85 -64.8 -38.29 90.5 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.714 0.257 . . . . 0.0 111.251 -179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 115' ' ' PRO . 99.6 t -60.84 -44.64 98.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -60.71 -46.05 91.86 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.707 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -66.4 -38.63 87.94 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.156 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.36 -42.38 99.36 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.641 -178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.8 mt -61.78 -43.57 98.58 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 123.179 0.299 . . . . 0.0 111.135 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -65.52 -39.47 91.86 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.452 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -62.24 -38.55 89.67 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.484 -179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.69 -8.06 13.58 Favored Glycine 0 CA--C 1.541 1.662 0 N-CA-C 111.959 -0.457 . . . . 0.0 111.959 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 59.46 32.58 21.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-N 117.107 0.454 . . . . 0.0 111.349 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -69.29 -40.33 77.77 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.394 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 39.1 p -148.14 163.99 35.26 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.533 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -67.25 -39.05 86.08 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.09 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -133.42 151.47 51.81 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.951 -179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 45.6 t -130.79 139.35 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -82.32 176.06 53.68 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -87.87 -46.42 9.43 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.984 0.421 . . . . 0.0 110.549 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -63.24 -31.31 80.31 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 70' ' ' ILE . . . -55.61 -62.03 5.21 Favored Pre-proline 0 CA--C 1.544 0.734 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.507 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.48 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 19.7 Cg_endo -60.37 -31.82 93.2 Favored 'Trans proline' 0 N--CA 1.499 1.848 0 C-N-CA 121.881 1.721 . . . . 0.0 111.809 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 134' ' ' ALA . 95.7 t -62.72 -46.81 95.43 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 179.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 51.3 t80 -62.27 -44.18 97.13 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.148 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.41 HD21 ' CD1' ' A' ' 46' ' ' PHE . 33.3 tp -63.34 -41.79 98.9 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.629 -179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.536 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -59.14 -39.31 82.02 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.13 88.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.118 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 84.2 t -63.46 -45.05 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.409 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 78.8 mt -62.23 -41.59 98.55 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.962 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -65.4 -40.77 93.84 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.401 0.438 . . . . 0.0 110.286 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -61.15 -47.7 85.02 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.663 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.556 HD13 HD13 ' A' ' 45' ' ' ILE . 41.1 mt -61.92 -39.64 92.72 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.796 -179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.3 m -58.55 -42.24 87.43 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.513 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.98 90.04 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.499 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -63.76 -41.82 97.92 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.533 -0.303 . . . . 0.0 111.385 -178.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.489 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 89.9 mt -66.07 -42.2 91.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.415 -179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 68.8 mt -61.52 -41.71 97.72 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.253 -0.431 . . . . 0.0 112.09 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 154' ' ' LEU . 9.4 pt-20 -68.22 -37.86 81.3 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.151 0.282 . . . . 0.0 110.736 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.721 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 65.7 mt -64.97 -42.71 94.34 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.081 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -64.27 -36.55 84.46 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.436 179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -59.1 -42.5 97.08 Favored Glycine 0 C--N 1.337 0.598 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 -62.36 -43.32 99.09 Favored 'General case' 0 C--O 1.234 0.286 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -64.56 -38.85 92.42 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.998 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.565 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -61.72 -39.03 90.08 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.104 179.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -62.06 -37.68 85.89 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.497 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -61.35 -34.79 75.88 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.279 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 72.8 m-80 -97.41 10.46 39.64 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.717 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.4 mttt 51.85 36.61 18.54 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 120.931 0.396 . . . . 0.0 111.421 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.565 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 41.2 tttm -112.94 126.53 55.58 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.986 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 41.2 p -74.25 -36.87 63.89 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.156 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -83.12 147.32 28.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.941 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 73.7 mt -98.99 127.68 51.38 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 25.2 pt -119.63 165.93 16.18 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.146 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -51.46 -33.77 48.52 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 122.154 1.903 . . . . 0.0 112.203 -179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -62.69 -41.45 99.11 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -67.03 -44.35 80.46 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.17 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.494 HD11 ' HB1' ' A' ' 34' ' ' ALA . 41.9 mt -62.04 -43.55 98.59 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.768 -179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -64.81 -43.7 92.27 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 62.5 mt -63.02 -40.89 99.1 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.988 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.721 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -63.54 -39.3 94.05 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.5 0.5 . . . . 0.0 111.247 -179.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.451 ' HA ' HD23 ' A' ' 182' ' ' LEU . 96.0 mt -64.0 -43.89 97.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -72.5 -22.13 61.09 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.851 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -77.97 -16.4 58.18 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 111.922 0.342 . . . . 0.0 111.922 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -109.78 118.72 37.27 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -64.4 -45.13 88.95 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.86 -179.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 62.0 mm-40 -66.03 -44.96 83.14 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 123.2 0.312 . . . . 0.0 111.276 -178.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 176' ' ' ILE . 3.2 tp -63.7 -36.0 82.42 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 179.46 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -60.0 -38.96 84.14 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.899 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -63.06 -44.21 96.45 Favored 'General case' 0 N--CA 1.464 0.246 0 O-C-N 123.237 0.336 . . . . 0.0 110.348 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 39.1 tp -63.59 -41.92 98.31 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.233 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 63.2 mt -101.26 21.92 13.27 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.169 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -51.48 -41.41 48.84 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 -179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -103.46 55.88 0.74 Allowed 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.359 0.599 . . . . 0.0 110.664 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 60.9 t -136.25 131.2 48.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 115.938 -0.573 . . . . 0.0 109.849 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 72.7 m -118.84 123.26 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.793 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 72.5 mt -107.2 -15.86 8.74 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.702 179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -59.1 -38.64 80.02 Favored 'General case' 0 C--O 1.233 0.222 0 O-C-N 122.922 0.139 . . . . 0.0 110.935 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 58.06 168.27 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.481 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.738 0 CA-C-O 118.085 -1.397 . . . . 0.0 110.894 -179.904 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ptt? . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -104.37 151.61 23.28 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.919 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.487 HD12 HD12 ' B' ' 67' ' ' LEU . 41.1 pt -145.03 164.19 12.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.646 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -116.4 138.09 51.63 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.59 127.07 72.24 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -113.95 137.38 51.77 Favored 'General case' 0 C--N 1.334 -0.108 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.209 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 71.5 p -105.61 161.87 14.0 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.483 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt -67.73 -19.75 65.18 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.269 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.4 p -70.81 -20.31 62.59 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.277 -1.514 . . . . 0.0 111.536 176.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.51 15.3 21.39 Favored Glycine 0 C--N 1.356 1.646 0 O-C-N 121.199 -0.938 . . . . 0.0 112.705 -172.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -93.99 151.17 19.73 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.99 0.395 . . . . 0.0 110.871 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -135.09 124.83 25.33 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.687 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.603 HD12 ' CD ' ' B' ' 33' ' ' LYS . 49.6 pt -127.97 134.92 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.529 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.699 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -87.61 132.61 34.01 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 121.606 -0.684 . . . . 0.0 109.666 -179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.6 tp -134.84 137.54 43.39 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 124.003 0.921 . . . . 0.0 111.024 -174.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -106.05 119.53 39.44 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.456 179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -136.19 164.01 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.977 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -109.24 150.18 40.72 Favored Pre-proline 0 CA--C 1.543 0.675 0 O-C-N 123.192 0.308 . . . . 0.0 110.489 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.29 -31.12 54.96 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 122.077 1.852 . . . . 0.0 112.478 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 91.2 p -84.59 -12.42 54.09 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -66.78 142.32 57.41 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 120.7 0.285 . . . . 0.0 110.638 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 11.4 p -82.09 160.63 23.13 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.99 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.4 mm -64.12 -41.5 92.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.448 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 70.9 tt0 -54.97 -40.54 70.14 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 110.032 -0.359 . . . . 0.0 110.032 -179.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -62.62 -41.09 98.81 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 64.2 t -62.7 -44.63 99.61 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.431 ' HA ' HD12 ' B' ' 30' ' ' ILE . 98.2 mttt -61.36 -39.14 89.52 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.805 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.04 -38.43 86.13 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.291 0.369 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.97 -38.67 92.04 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' B' ' 27' ' ' LYS . 94.5 mt -62.67 -42.26 95.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 108.957 -0.757 . . . . 0.0 108.957 179.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -56.71 -37.27 70.7 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -65.31 -35.96 82.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.52 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.603 ' CD ' HD12 ' B' ' 13' ' ' ILE . 98.6 mttt -81.26 -45.73 15.83 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -178.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.507 ' OE1' HD12 ' B' ' 36' ' ' ILE . 42.9 mt-10 -93.86 -36.89 12.01 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 126.965 2.106 . . . . 0.0 115.812 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.15 27.95 47.1 Favored Glycine 0 C--N 1.355 1.639 0 C-N-CA 125.995 1.759 . . . . 0.0 111.922 -172.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.507 HD12 ' OE1' ' B' ' 34' ' ' GLU . 61.1 mt -99.72 139.24 20.69 Favored Pre-proline 0 CA--C 1.552 1.048 0 CA-C-O 119.098 -0.477 . . . . 0.0 109.874 179.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -55.35 120.51 8.32 Favored 'Trans proline' 0 N--CA 1.504 2.114 0 C-N-CA 122.109 1.872 . . . . 0.0 112.245 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_exo -55.21 -37.45 94.3 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.25 1.967 . . . . 0.0 112.643 -179.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -29.66 70.99 Favored 'General case' 0 N--CA 1.435 -1.219 0 O-C-N 120.716 -1.24 . . . . 0.0 108.876 -177.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -87.67 11.54 14.93 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.028 -174.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -116.75 135.09 54.04 Favored 'General case' 0 C--N 1.348 0.543 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 26.3 ttt85 -112.54 125.09 53.87 Favored 'General case' 0 C--O 1.233 0.23 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 51.0 mt -103.5 141.31 36.22 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.606 HD11 HD12 ' C' ' 676' ' ' LEU . 98.9 mt -131.62 138.76 52.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.09 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 69.3 t80 -124.36 125.28 44.06 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 177.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 54.55 29.63 11.67 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.496 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.15 16.89 75.55 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-O 119.924 -0.376 . . . . 0.0 112.504 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 33.6 mttm -107.98 134.99 50.1 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 117.384 0.592 . . . . 0.0 110.158 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -65.64 133.85 52.02 Favored 'General case' 0 CA--C 1.515 -0.374 0 O-C-N 123.374 0.421 . . . . 0.0 110.178 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.42 HD23 ' CZ ' ' B' ' 59' ' ' TYR . 52.9 mt -111.07 132.17 54.47 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.684 -179.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -97.26 144.04 27.45 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.049 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -61.86 -36.03 80.02 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.595 -178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.66 -3.38 72.58 Favored Glycine 0 CA--C 1.536 1.402 0 CA-C-O 119.71 -0.495 . . . . 0.0 113.013 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -101.2 160.66 14.21 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 117.425 0.613 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.5 p -104.2 164.55 11.65 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.697 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 66.7 mt -63.87 -38.09 89.82 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.486 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.6 p -57.75 -28.83 64.28 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.922 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.47 -37.08 82.29 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 123.074 0.233 . . . . 0.0 111.204 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.42 ' CZ ' HD23 ' B' ' 50' ' ' LEU . 95.8 m-85 -93.8 8.03 42.65 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 123.291 0.37 . . . . 0.0 111.707 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 32.0 m120 54.11 70.54 0.6 Allowed 'General case' 0 C--O 1.238 0.448 0 CA-C-O 121.118 0.485 . . . . 0.0 111.225 179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 67.3 mt -108.31 127.19 64.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -106.85 -175.39 2.78 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.79 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -55.0 152.31 7.75 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.136 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 67.8 tt0 53.13 82.27 0.08 Allowed 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 121.128 0.489 . . . . 0.0 110.268 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.8 t -129.95 148.82 51.85 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.371 -179.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.7 m -110.25 122.78 48.48 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.545 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.487 HD12 HD12 ' B' ' 3' ' ' ILE . 74.5 mt -115.16 128.39 56.16 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.978 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -90.42 145.73 24.7 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.076 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.406 HD13 HD13 ' B' ' 30' ' ' ILE . 29.9 tp -110.79 130.71 55.5 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 121.418 0.628 . . . . 0.0 111.911 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.697 ' CG2' ' HB1' ' C' ' 673' ' ' ALA . 15.9 t -130.79 166.13 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.121 178.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.49 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.4 tp -105.3 112.73 25.94 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 121.059 -0.256 . . . . 0.0 111.521 -178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -81.12 129.45 34.57 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 178.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 58.6 mt -100.34 -7.55 24.35 Favored 'General case' 0 N--CA 1.471 0.585 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -92.68 138.11 31.78 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.029 0.206 . . . . 0.0 110.45 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.16 -165.35 50.56 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.889 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.366 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -66.74 -45.67 77.86 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.52 0.188 . . . . 0.0 110.624 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 57.1 ttm -59.04 -50.4 74.22 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.403 0.44 . . . . 0.0 110.436 -179.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 2.5 t70 44.63 68.84 2.86 Favored Pre-proline 0 CA--C 1.555 1.173 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.537 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.68 -12.38 31.06 Favored 'Trans proline' 0 N--CA 1.504 2.12 0 C-N-CA 122.045 1.83 . . . . 0.0 112.835 179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.434 HG12 ' CE ' ' C' ' 659' ' ' MET . 49.2 t -62.61 -42.06 94.51 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 -179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.471 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 32.0 mt -60.21 -42.8 95.93 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.251 0.344 . . . . 0.0 110.769 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.8 mtm-85 -63.7 -41.58 98.09 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.64 179.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.9 -39.04 83.69 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.023 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.471 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 74.8 mtm -64.82 -38.58 91.47 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.8 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -61.67 -44.4 97.03 Favored 'General case' 0 N--CA 1.463 0.219 0 O-C-N 123.268 0.355 . . . . 0.0 110.708 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.49 -43.88 79.86 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 123.31 0.381 . . . . 0.0 111.085 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -65.7 -38.51 89.43 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.395 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.88 -41.0 99.25 Favored 'General case' 0 C--O 1.235 0.321 0 O-C-N 123.409 0.443 . . . . 0.0 110.954 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -62.26 -43.41 98.89 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.218 0.324 . . . . 0.0 110.657 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -72.7 -34.88 67.45 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 123.393 0.433 . . . . 0.0 110.895 179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 77.2 tt0 -65.34 -45.81 82.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.438 -179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.52 -32.29 72.98 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.722 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -60.34 -44.12 95.82 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.14 -37.71 88.42 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.199 179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -62.67 -36.92 84.45 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.188 0.305 . . . . 0.0 110.859 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -64.19 -46.52 83.59 Favored 'General case' 0 C--O 1.232 0.171 0 O-C-N 123.373 0.421 . . . . 0.0 109.916 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.517 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -66.38 -42.47 87.91 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.697 ' HB1' ' CG2' ' B' ' 70' ' ' VAL . . . -62.85 -39.57 94.79 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.627 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 22.6 tp -62.39 -38.98 91.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.031 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.69 -41.95 99.38 Favored 'General case' 0 C--N 1.337 0.053 0 O-C-N 123.396 0.435 . . . . 0.0 110.336 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.606 HD12 HD11 ' B' ' 44' ' ' ILE . 79.6 mt -65.49 -42.26 92.35 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 109.832 -0.433 . . . . 0.0 109.832 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -60.24 -44.05 95.55 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.81 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -70.73 -40.7 72.62 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.53 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 50.0 mtp -63.56 -48.87 75.7 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.652 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -63.37 -42.01 98.84 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.521 0.513 . . . . 0.0 110.59 -179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -66.82 -35.13 79.34 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.517 178.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -62.8 -39.25 93.68 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.562 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -52.89 -43.77 66.42 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.343 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -64.77 -45.17 87.49 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.366 179.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 34.94 41.19 0.06 Allowed 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.307 0.575 . . . . 0.0 112.351 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 22.2 p -85.27 -63.46 1.32 Allowed 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.883 -179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.19 160.3 22.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.274 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 11.0 m -72.86 149.77 43.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.501 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -131.3 143.45 50.54 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.468 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -129.38 141.03 51.16 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.426 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -113.56 41.86 2.09 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.252 0.549 . . . . 0.0 110.542 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -126.78 -57.33 0.14 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 78.2 p -69.38 -28.83 66.53 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.434 0.138 . . . . 0.0 110.991 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . 0.403 HG13 ' N ' ' C' ' 695' ' ' ASP . 11.9 p -60.86 -42.09 91.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.285 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . 0.403 ' N ' HG13 ' C' ' 694' ' ' VAL . 2.8 p30 -77.74 175.7 9.71 Favored 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.631 0.582 . . . . 0.0 110.534 -179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 63.58 121.55 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.341 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -70.55 162.05 29.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.398 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 66.9 mt -61.59 -42.8 99.38 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.747 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 40.9 mt 61.84 151.5 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.48 0.488 . . . . 0.0 110.289 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.99 148.61 28.47 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.402 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 4.4 m -90.45 121.33 32.32 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.418 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 41.5 m -60.48 -42.89 97.18 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.644 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -143.91 -53.83 0.35 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.665 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 99.0 mtp -128.83 141.6 51.24 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.568 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -75.08 141.66 43.78 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.685 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 82.13 108.81 0.41 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -64.92 -38.17 90.07 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.593 0.235 . . . . 0.0 110.59 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 67.9 mttm . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.557 179.905 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.493 1.701 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -114.62 143.56 44.82 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.604 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.6 mt-10 53.51 24.75 4.26 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.707 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.6 m -112.93 -55.08 2.57 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.35 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 55.03 24.47 6.03 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.221 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -63.3 -40.32 97.04 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.008 0.432 . . . . 0.0 111.123 -179.812 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 67.8 mt -67.52 -43.06 87.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.87 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.417 ' CZ ' ' HD3' ' A' ' 115' ' ' PRO . 78.0 m-85 -63.46 -44.47 94.35 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.988 -178.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 14' ' ' SER . 7.5 p -62.12 -36.48 74.51 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -55.86 -45.08 78.55 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -60.95 -40.59 93.88 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.483 0.489 . . . . 0.0 110.226 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.427 HG13 ' CE2' ' C' ' 697' ' ' TYR . 76.5 t -60.83 -42.06 91.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.58 ' HA ' HG12 ' A' ' 24' ' ' VAL . 27.2 tp -60.65 -38.54 85.17 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.899 -178.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -64.34 -38.29 90.5 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 123.202 0.314 . . . . 0.0 111.582 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -79.87 -35.82 37.54 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 123.376 0.423 . . . . 0.0 110.828 -178.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.58 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.2 p -78.88 -29.04 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.635 -178.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.53 86.81 0.34 Allowed Pre-proline 0 CA--C 1.55 0.945 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -65.18 -28.96 55.97 Favored 'Trans proline' 0 N--CA 1.504 2.128 0 C-N-CA 122.365 2.044 . . . . 0.0 112.893 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -62.84 -43.36 99.0 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.888 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.1 p -82.89 154.47 24.59 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.597 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.37 175.3 15.65 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.8 tt -134.36 135.48 54.07 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.843 0.354 . . . . 0.0 110.186 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -78.68 155.51 29.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.394 179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.0 p -60.51 -33.31 72.45 Favored 'General case' 0 N--CA 1.44 -0.974 0 O-C-N 122.112 -0.368 . . . . 0.0 110.065 -177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.45 -39.37 81.49 Favored 'General case' 0 C--N 1.346 0.433 0 C-N-CA 122.743 0.417 . . . . 0.0 110.464 177.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -38.57 89.69 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.6 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 29.3 mtp -62.93 -42.51 99.82 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.79 -38.31 95.04 Favored Glycine 0 CA--C 1.524 0.643 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.122 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 27.3 mm -62.3 -44.62 99.37 Favored 'Isoleucine or valine' 0 C--O 1.235 0.323 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.408 ' O ' HG23 ' A' ' 42' ' ' VAL . 97.8 mmm -70.96 -31.29 67.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.467 179.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -59.71 -45.75 91.19 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.034 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.1 m -69.4 -31.84 70.46 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.48 0.488 . . . . 0.0 110.049 178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.546 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 87.3 t80 -62.2 -42.53 99.38 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.009 -0.542 . . . . 0.0 109.934 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 38' ' ' MET . 62.3 t -67.54 -48.12 78.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.599 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -65.9 -40.05 91.16 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.059 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -59.58 -47.9 83.75 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.527 -178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.546 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 96.4 mt -68.84 -36.01 72.19 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 O-C-N 123.576 0.547 . . . . 0.0 110.052 179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.417 ' CD2' HD21 ' A' ' 140' ' ' LEU . 87.4 t80 -55.15 -48.09 74.19 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.328 -178.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -69.28 -39.24 78.48 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.33 0.394 . . . . 0.0 111.686 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -62.63 -48.16 80.59 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.66 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 45' ' ' ILE . 96.9 mt -63.71 -43.15 97.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.31 -40.45 77.91 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.488 0.493 . . . . 0.0 111.084 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.51 -44.81 94.65 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 77.6 tt0 -66.55 -40.86 89.27 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.172 -0.306 . . . . 0.0 110.172 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -41.22 99.08 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.367 179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.4 m -62.27 -41.64 98.65 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.187 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -63.77 -41.21 98.01 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.21 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 66.9 mt -62.72 -39.46 94.13 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.636 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.72 -37.83 85.64 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.364 179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 45.2 t-80 -64.16 -43.33 95.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 109.975 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -64.0 -38.94 92.9 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.213 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -85.95 -1.41 57.29 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.971 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 55.52 36.37 27.02 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-O 120.867 0.365 . . . . 0.0 111.292 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -101.05 134.17 44.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.503 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 7.5 m -86.67 -15.48 39.48 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.581 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.8 m -117.85 131.19 56.58 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 120.667 0.27 . . . . 0.0 110.409 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.7 mt -89.35 132.39 34.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 80.8 p -129.51 179.06 6.02 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.175 -179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 85.3 p -56.72 -32.34 65.42 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.645 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 -61.46 -43.81 98.2 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.159 0.287 . . . . 0.0 111.337 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -65.69 -44.27 86.69 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.204 0.315 . . . . 0.0 110.511 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.608 HD11 ' HB1' ' A' ' 136' ' ' ALA . 91.1 mt -64.78 -41.39 92.06 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.012 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -54.97 -45.09 74.93 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.103 0.252 . . . . 0.0 110.976 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.3 m -64.2 -44.67 91.23 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.236 0.335 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.98 89.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.852 -179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 70' ' ' ILE . 56.9 t -62.1 -45.3 99.05 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.266 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.6 mtp85 -63.81 -37.81 88.77 Favored 'General case' 0 C--O 1.233 0.224 0 O-C-N 123.358 0.411 . . . . 0.0 111.386 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 72.7 mt -72.6 -33.47 66.72 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.4 mt -86.32 -37.25 18.69 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -178.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.9 mp -88.35 146.55 38.09 Favored Pre-proline 0 CA--C 1.544 0.717 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -55.31 160.89 7.89 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 122.379 2.052 . . . . 0.0 111.359 178.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.51 -47.25 57.59 Favored Glycine 0 CA--C 1.531 1.084 0 CA-C-N 116.278 -0.419 . . . . 0.0 112.692 -178.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.43 -44.88 77.65 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 116.912 0.356 . . . . 0.0 111.72 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.48 -40.06 96.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.497 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -62.03 -37.92 86.76 Favored 'General case' 0 N--CA 1.464 0.275 0 O-C-N 123.385 0.428 . . . . 0.0 112.017 -179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.7 ttmt -58.74 -45.64 89.2 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.415 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.447 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 34.5 m-70 -70.62 -36.42 73.45 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.285 0.366 . . . . 0.0 111.268 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.409 ' HA ' ' HG2' ' A' ' 89' ' ' GLU . . . -61.21 -37.85 84.47 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.296 -179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 83' ' ' ALA . 93.7 t -63.63 -41.72 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.305 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.1 m -62.05 -47.95 82.44 Favored 'General case' 0 N--CA 1.435 -1.175 0 N-CA-C 109.966 -0.383 . . . . 0.0 109.966 -178.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' A' ' 86' ' ' ALA . 14.1 pt-20 -67.93 -35.74 78.95 Favored 'General case' 0 C--N 1.348 0.519 0 C-N-CA 123.06 0.544 . . . . 0.0 111.457 -178.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -64.68 -46.89 88.58 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.394 -0.683 . . . . 0.0 111.394 -178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 20.0 m -62.65 -44.48 96.15 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -62.39 -39.77 94.33 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.794 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.44 ' HB1' HG12 ' A' ' 138' ' ' VAL . . . -59.84 -44.15 94.24 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 81.3 t -66.7 -40.47 86.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.6 m -59.57 -40.01 85.95 Favored 'General case' 0 C--N 1.34 0.166 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.915 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -60.65 -44.39 96.48 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.335 0.397 . . . . 0.0 110.018 179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -60.52 -46.29 90.71 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.4 p -68.57 -33.64 74.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.744 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.6 m -68.51 -57.11 6.28 Favored 'General case' 0 CA--C 1.491 -1.319 0 O-C-N 119.974 -1.704 . . . . 0.0 111.405 -179.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -55.52 123.37 13.74 Favored 'General case' 0 C--N 1.361 1.078 0 O-C-N 123.58 0.55 . . . . 0.0 111.103 -179.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.26 -40.76 70.77 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.714 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.4 p -150.91 141.6 22.71 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.563 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -159.47 123.8 3.91 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.365 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 45.5 mmtm -65.65 -41.2 92.82 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.912 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.0 m -95.56 129.75 42.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.423 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.7 mmt-85 -64.58 -42.98 95.25 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.165 -179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.1 p -62.12 -42.77 99.56 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.796 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 70.8 m -61.1 -40.1 92.45 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.567 0.542 . . . . 0.0 110.563 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -65.21 -36.19 83.4 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.398 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.494 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -80.25 -27.05 38.73 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.336 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 75.95 31.94 54.4 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.651 -0.58 . . . . 0.0 111.651 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 141' ' ' ALA . 42.7 mt -111.98 132.36 54.82 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.425 0.155 . . . . 0.0 110.757 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -59.33 -43.9 92.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.374 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -63.26 146.27 96.24 Favored Pre-proline 0 CA--C 1.541 0.628 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.375 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.537 ' O ' HG23 ' A' ' 119' ' ' VAL . 38.4 Cg_endo -69.47 105.42 1.44 Allowed 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 122.021 1.814 . . . . 0.0 112.034 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 95.3 t -64.76 -42.74 95.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.401 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -59.28 -44.56 96.42 Favored Glycine 0 CA--C 1.528 0.875 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.45 -38.76 92.14 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.472 0.136 . . . . 0.0 111.198 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 115' ' ' PRO . 90.0 t -60.36 -43.67 94.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -61.55 -43.92 97.99 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.66 -179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -66.16 -41.33 90.52 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.205 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.7 mt -63.06 -41.08 99.37 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.395 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.78 -42.63 99.25 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.309 0.38 . . . . 0.0 110.772 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 80.5 mtp85 -66.9 -37.31 84.13 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -62.87 -38.05 89.3 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.28 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.69 -7.15 19.92 Favored Glycine 0 CA--C 1.54 1.596 0 N-CA-C 112.051 -0.42 . . . . 0.0 112.051 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 56.92 31.82 20.42 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 117.015 0.407 . . . . 0.0 111.372 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -65.18 -41.55 94.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.519 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 29.9 t -148.47 159.85 43.64 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.615 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -63.78 -38.63 91.81 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -131.33 142.47 50.09 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.409 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.33 138.57 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.286 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -85.24 173.28 48.15 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.653 -0.579 . . . . 0.0 111.653 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.492 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -89.3 -35.06 16.34 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 115.398 -0.401 . . . . 0.0 110.954 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.13 -35.28 91.55 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.781 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.775 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -59.53 -60.04 11.89 Favored Pre-proline 0 CA--C 1.544 0.721 0 CA-C-O 118.96 -0.543 . . . . 0.0 110.645 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.775 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 45.7 Cg_exo -53.49 -37.33 82.32 Favored 'Trans proline' 0 N--CA 1.496 1.674 0 C-N-CA 121.724 1.616 . . . . 0.0 111.694 179.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.494 HG13 ' HB1' ' A' ' 110' ' ' ALA . 91.6 t -62.41 -47.59 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 15.3 t80 -62.59 -46.53 87.87 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.308 0.38 . . . . 0.0 110.391 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.417 HD21 ' CD2' ' A' ' 46' ' ' PHE . 35.4 tp -62.27 -41.22 98.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.589 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.548 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -58.91 -38.7 79.5 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 -179.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.88 -40.2 87.72 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 123.355 0.409 . . . . 0.0 111.043 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.432 HG21 HG21 ' A' ' 74' ' ' VAL . 99.2 t -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.37 -179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.1 mt -61.87 -41.48 97.9 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.13 -179.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 76.2 tt0 -65.54 -39.55 91.86 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.578 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 68.9 t80 -61.77 -48.69 79.54 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.544 -179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.481 HD13 HD13 ' A' ' 45' ' ' ILE . 82.2 mt -62.53 -40.67 97.52 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.4 ' CG2' HG23 ' A' ' 17' ' ' VAL . 18.9 m -62.0 -43.34 99.05 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.603 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.59 -38.11 88.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.764 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -65.62 -42.92 90.98 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.324 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.486 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 83.5 mt -65.14 -42.75 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 O-C-N 123.312 0.383 . . . . 0.0 110.186 -179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.419 HD22 HD13 ' A' ' 21' ' ' LEU . 84.8 mt -62.16 -40.55 96.39 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.622 -178.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -66.04 -47.81 73.14 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.231 0.332 . . . . 0.0 110.69 -179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 63.9 mt -65.23 -41.29 94.54 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.547 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.69 84.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.427 179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.9 -41.08 99.61 Favored Glycine 0 C--N 1.338 0.678 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 -63.28 -42.25 99.07 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 110.434 -0.21 . . . . 0.0 110.434 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.26 -46.11 89.4 Favored 'General case' 0 C--N 1.342 0.245 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -65.84 -36.78 84.43 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.797 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -60.72 -42.56 97.53 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.762 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -64.83 -31.74 73.12 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.544 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -89.68 9.52 26.74 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.69 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 56.45 46.52 20.6 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.192 0.52 . . . . 0.0 111.131 179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -126.51 146.11 50.24 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.52 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 58.0 p -108.79 17.72 21.55 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.307 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -129.73 137.61 50.67 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 69.5 mt -93.94 130.51 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 20.9 pt -133.23 165.54 35.94 Favored Pre-proline 0 CA--C 1.545 0.763 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.984 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -50.19 -34.49 39.68 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.21 1.94 . . . . 0.0 112.203 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.25 -40.2 96.76 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -67.37 -40.44 85.74 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.498 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.5 mt -61.95 -41.47 98.02 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.827 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -61.68 -42.58 99.11 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 123.295 0.372 . . . . 0.0 110.137 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 5.0 tt -62.19 -40.75 97.09 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 123.472 0.483 . . . . 0.0 110.922 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.41 ' HA ' ' ND2' ' A' ' 178' ' ' ASN . . . -60.3 -43.39 96.34 Favored 'General case' 0 C--N 1.332 -0.173 0 O-C-N 123.424 0.452 . . . . 0.0 111.586 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.508 HD13 ' CD1' ' A' ' 186' ' ' LEU . 66.4 mt -70.93 -43.2 76.98 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.743 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -68.34 -36.18 78.87 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.422 ' C ' ' OD1' ' A' ' 178' ' ' ASN . 31.1 p30 -77.18 -9.1 58.55 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 123.283 0.364 . . . . 0.0 111.843 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -116.17 113.66 23.38 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -58.69 -42.62 89.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.62 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -60.59 -48.31 82.32 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.321 0.388 . . . . 0.0 111.288 -179.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.95 -36.02 82.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -59.53 -36.72 76.67 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.973 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -66.14 -45.16 82.0 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.214 0.321 . . . . 0.0 110.642 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 31.9 tp -63.96 -43.25 96.37 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.508 ' CD1' HD13 ' A' ' 176' ' ' ILE . 71.9 mt -104.79 22.07 15.81 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -178.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -54.09 -41.26 68.8 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -95.93 12.07 31.63 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 83.7 t -124.52 129.5 73.78 Favored 'Isoleucine or valine' 0 C--N 1.343 0.324 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 40.1 m -116.46 136.54 52.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.31 -0.859 . . . . 0.0 109.711 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 36.0 mm -85.11 127.73 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.96 -179.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -64.41 142.69 58.33 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.727 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -108.37 129.18 55.25 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.284 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.722 0 CA-C-O 117.975 -1.458 . . . . 0.0 111.036 -179.931 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 11.0 ttp . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -109.83 134.39 52.1 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.461 -0.79 . . . . 0.0 110.203 179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.7 pt -132.34 149.81 32.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.114 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -106.59 142.78 35.69 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -122.3 127.42 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -111.39 151.69 28.2 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.292 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 82.8 p -121.43 165.63 15.29 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.588 -179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.16 -25.17 67.96 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.004 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 71.1 p -69.16 -20.18 64.01 Favored 'General case' 0 N--CA 1.439 -1.012 0 O-C-N 119.844 -1.785 . . . . 0.0 111.235 178.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.04 8.46 47.74 Favored Glycine 0 C--N 1.353 1.519 0 O-C-N 121.402 -0.811 . . . . 0.0 112.731 -171.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -83.93 151.74 24.9 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 117.252 0.526 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 41.8 m -131.94 127.47 36.43 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.344 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.641 HD12 ' CD ' ' B' ' 33' ' ' LYS . 48.6 pt -124.99 134.51 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.975 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 80.9 p -83.11 140.56 32.57 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -141.29 131.11 24.31 Favored 'General case' 0 C--N 1.345 0.372 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.406 179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -109.14 115.47 30.1 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.178 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -139.89 159.22 26.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.062 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -101.29 157.59 33.38 Favored Pre-proline 0 CA--C 1.539 0.552 0 O-C-N 123.377 0.423 . . . . 0.0 110.697 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.34 -35.37 64.38 Favored 'Trans proline' 0 N--CA 1.499 1.806 0 C-N-CA 122.247 1.964 . . . . 0.0 112.395 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.3 p -71.62 -18.61 62.2 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.205 -179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -62.22 139.53 58.49 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.658 0.266 . . . . 0.0 110.634 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 12.2 p -84.55 155.02 22.3 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.911 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.5 -42.06 94.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.738 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -56.44 -39.96 73.98 Favored 'General case' 0 C--O 1.234 0.285 0 O-C-N 123.167 0.292 . . . . 0.0 110.261 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -62.74 -39.16 93.26 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.041 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.8 t -60.75 -42.25 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.46 -39.51 83.88 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.392 0.433 . . . . 0.0 110.733 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.4 94.46 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 123.3 0.375 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -62.47 -39.96 95.12 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.041 179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 89.0 mt -63.11 -41.72 93.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -55.38 -38.49 68.93 Favored 'General case' 0 C--O 1.222 -0.361 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -69.17 -33.74 73.88 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.086 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.641 ' CD ' HD12 ' B' ' 13' ' ' ILE . 68.3 mttm -76.14 -45.94 31.15 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -178.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -93.79 -38.78 11.09 Favored 'General case' 0 N--CA 1.44 -0.959 0 C-N-CA 125.752 1.621 . . . . 0.0 115.202 177.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.52 28.53 29.6 Favored Glycine 0 C--N 1.352 1.472 0 C-N-CA 125.594 1.569 . . . . 0.0 111.911 -169.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 56.5 mt -101.91 137.22 19.46 Favored Pre-proline 0 CA--C 1.549 0.907 0 CA-C-O 119.161 -0.447 . . . . 0.0 110.202 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -52.0 128.89 28.54 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.032 1.821 . . . . 0.0 112.094 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_exo -55.14 -37.08 94.34 Favored 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.21 1.94 . . . . 0.0 112.76 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.448 ' O ' ' HD3' ' B' ' 72' ' ' ARG . 64.2 m-20 -65.02 -29.7 70.63 Favored 'General case' 0 N--CA 1.428 -1.558 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -178.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -86.48 12.28 10.67 Favored 'General case' 0 C--N 1.348 0.524 0 C-N-CA 123.885 0.874 . . . . 0.0 111.279 -171.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -129.87 144.77 51.48 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.685 0.279 . . . . 0.0 111.318 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -118.06 145.61 44.69 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.885 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 64.9 mt -112.99 128.32 56.47 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 178.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.595 HD11 HD12 ' C' ' 676' ' ' LEU . 88.0 mt -125.83 131.49 71.83 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.894 -178.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 79.4 t80 -125.91 125.48 42.86 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 178.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 71.03 12.8 6.98 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.191 0.307 . . . . 0.0 110.666 -178.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.52 9.84 74.71 Favored Glycine 0 CA--C 1.536 1.365 0 CA-C-O 119.762 -0.466 . . . . 0.0 113.028 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 45.2 pttt -115.05 136.7 52.84 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -53.8 156.18 2.91 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.017 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.8 mt -120.97 145.67 47.49 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.801 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -91.69 130.9 37.41 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.949 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -65.5 -35.71 81.69 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.556 -179.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.93 -12.76 79.05 Favored Glycine 0 CA--C 1.534 1.265 0 O-C-N 123.495 0.497 . . . . 0.0 112.981 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -93.93 157.06 16.29 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 117.204 0.502 . . . . 0.0 110.863 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 26.0 p -94.2 166.35 12.15 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.809 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 67.2 mt -62.33 -41.88 98.93 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.564 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 78.1 p -59.2 -27.89 66.14 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.34 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -61.25 -35.16 76.51 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.239 0.337 . . . . 0.0 110.887 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -91.55 11.32 24.56 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 123.239 0.337 . . . . 0.0 111.817 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 56.55 36.95 28.38 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.848 0.356 . . . . 0.0 111.192 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 76.7 mt -73.15 125.46 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -100.87 -178.54 3.79 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.753 -179.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -56.17 142.4 37.17 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.245 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 56.01 92.87 0.03 OUTLIER 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.137 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 12.3 t -130.55 146.74 52.13 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.512 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 26.7 m -103.36 122.86 45.71 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.36 0.413 . . . . 0.0 110.295 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 65.0 mt -116.93 126.88 53.63 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.93 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -89.16 145.75 25.23 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.216 -0.447 . . . . 0.0 109.891 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 17.6 tp -112.04 131.75 55.23 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.024 -0.534 . . . . 0.0 112.086 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.801 HG22 ' HB1' ' C' ' 673' ' ' ALA . 6.7 t -131.11 167.87 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 179.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.493 ' H ' HG12 ' B' ' 70' ' ' VAL . 11.4 tp -104.34 119.19 38.41 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.448 ' HD3' ' O ' ' B' ' 39' ' ' ASP . 71.2 ttt-85 -84.68 134.38 34.36 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.256 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.531 HD22 ' HE ' ' C' ' 684' ' ' ARG . 47.8 mt -127.36 73.9 1.47 Allowed 'General case' 0 N--CA 1.471 0.586 0 CA-C-O 121.141 0.496 . . . . 0.0 111.315 -179.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -148.62 145.07 27.6 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.752 179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 70.47 -167.25 50.23 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.822 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.534 -1.427 . . . . 0.0 109.534 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -111.02 128.81 55.98 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.602 0.239 . . . . 0.0 110.713 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 74.6 mtm -65.31 -40.35 93.64 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.718 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -85.51 124.69 71.13 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.972 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.25 -14.05 31.21 Favored 'Trans proline' 0 N--CA 1.504 2.099 0 C-N-CA 122.247 1.965 . . . . 0.0 112.907 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.435 HG12 ' CE ' ' C' ' 659' ' ' MET . 50.1 t -60.92 -42.24 92.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 -179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.475 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 52.3 mt -59.61 -43.98 93.58 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.195 0.31 . . . . 0.0 110.954 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -65.96 -41.67 90.93 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.624 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -65.09 -40.15 94.2 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.475 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 74.8 mtm -63.88 -38.71 92.08 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.681 -179.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -60.89 -42.04 97.22 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.235 0.335 . . . . 0.0 110.448 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -62.44 -43.78 98.0 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.709 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.4 -42.68 92.31 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.013 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 77.9 mt -64.91 -38.25 90.33 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.996 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -60.7 -43.61 97.56 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.413 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -69.45 -36.14 76.34 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.461 0.476 . . . . 0.0 110.29 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -63.57 -45.07 92.12 Favored 'General case' 0 C--N 1.341 0.232 0 O-C-N 123.42 0.45 . . . . 0.0 109.837 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -64.29 -35.56 81.26 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.64 0.587 . . . . 0.0 110.585 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -60.08 -45.73 91.92 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -69.65 -38.25 77.05 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.888 179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 67.2 mtm180 -64.97 -38.88 92.43 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.362 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.41 -46.57 82.68 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.308 0.38 . . . . 0.0 110.142 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.47 ' C ' HD13 ' C' ' 672' ' ' LEU . 2.8 tm? -65.2 -41.58 94.39 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 178.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.801 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -61.31 -39.14 89.39 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.449 179.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.83 -37.91 86.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.087 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -61.03 -42.39 98.37 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.301 0.376 . . . . 0.0 110.242 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.595 HD12 HD11 ' B' ' 44' ' ' ILE . 88.7 mt -64.02 -43.77 94.6 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 120.637 -0.425 . . . . 0.0 109.932 178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -60.16 -42.41 94.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.488 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -69.45 -44.51 71.1 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.741 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 76.0 mtm -66.25 -44.07 84.76 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.412 0.445 . . . . 0.0 111.634 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -63.99 -42.82 97.08 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.822 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -66.56 -35.47 80.3 Favored 'General case' 0 N--CA 1.464 0.27 0 O-C-N 123.415 0.447 . . . . 0.0 110.863 178.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -65.23 -40.32 93.92 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.913 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.4 -43.41 90.72 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.88 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.531 ' HE ' HD22 ' B' ' 73' ' ' LEU . 58.5 ttm-85 -69.8 -43.3 72.37 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.848 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -136.1 148.24 48.18 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 123.475 0.484 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 20.8 p -98.84 42.49 1.1 Allowed 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.574 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 45.7 t -70.29 136.77 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.715 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 5.9 m -59.03 156.81 11.12 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.692 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 32.7 ptt-85 -59.32 -25.75 64.43 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.941 179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -58.82 133.19 55.77 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.444 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -144.27 156.4 44.26 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.676 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 163.98 101.4 0.16 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.711 -0.955 . . . . 0.0 110.711 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 28.2 t -159.44 151.27 20.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.536 0.208 . . . . 0.0 110.641 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 49.1 t -126.87 133.32 68.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.695 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -91.02 -97.08 0.11 Allowed 'General case' 0 CA--C 1.558 1.264 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 56.44 164.89 0.02 OUTLIER 'General case' 0 C--N 1.354 0.788 0 C-N-CA 122.485 0.314 . . . . 0.0 110.786 -179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.427 ' CE2' HG13 ' A' ' 20' ' ' VAL . 31.2 m-85 -85.22 144.46 28.12 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.216 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 69.4 mt -67.18 130.62 43.69 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.542 -179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 77.7 mt -132.83 153.54 51.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.748 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -80.84 68.32 7.05 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.242 0.544 . . . . 0.0 110.404 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 93.6 p -151.92 161.26 42.94 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.62 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 9.9 t -86.49 104.33 15.85 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.709 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -126.34 24.89 6.7 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.054 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 65.4 mtt -103.91 141.25 36.48 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.684 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -63.39 -40.44 97.21 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.625 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 80.08 51.64 4.95 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -60.28 145.32 47.93 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.546 0.212 . . . . 0.0 110.512 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.221 -0.418 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.512 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.5 mtp85 . . . . . 0 N--CA 1.493 1.682 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -64.08 127.67 32.46 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -96.09 -13.72 23.43 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.449 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.23 89.54 0.08 Allowed 'General case' 0 C--O 1.235 0.299 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.293 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -100.13 23.03 10.51 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.276 179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 80.1 p -60.57 -42.07 95.89 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.993 0.425 . . . . 0.0 110.66 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.2 mt -66.46 -43.38 91.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.553 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.017 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -65.75 -43.67 88.25 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.201 -178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.89 -35.73 74.29 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -54.45 -46.27 73.27 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -62.93 -40.0 96.28 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.578 0.549 . . . . 0.0 110.007 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG13 ' CE2' ' C' ' 697' ' ' TYR . 34.1 t -60.04 -42.53 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.4 tp -60.41 -38.21 83.29 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.656 -178.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.22 -39.41 92.73 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.48 -179.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -69.37 -36.8 77.18 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.257 -178.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.447 HG22 ' OE2' ' A' ' 153' ' ' GLU . 2.4 p -80.91 -40.56 18.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.857 -178.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -171.71 92.75 0.42 Allowed Pre-proline 0 CA--C 1.552 1.052 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.547 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -56.9 -35.48 98.49 Favored 'Trans proline' 0 N--CA 1.506 2.243 0 C-N-CA 122.667 2.245 . . . . 0.0 113.088 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -58.67 -46.79 86.44 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.55 ' HA ' HG22 ' A' ' 165' ' ' THR . 76.4 p -70.11 132.62 46.1 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 123.144 0.278 . . . . 0.0 110.815 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -104.44 173.07 20.92 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 tt -138.97 142.55 33.79 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 120.673 0.273 . . . . 0.0 110.392 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 p -82.58 157.87 23.31 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.272 179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 69.9 m -61.87 -33.48 74.27 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 123.67 0.788 . . . . 0.0 109.922 -178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -67.09 -40.61 86.98 Favored 'General case' 0 C--N 1.348 0.511 0 C-N-CA 123.323 0.649 . . . . 0.0 110.232 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.94 -34.5 78.12 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.758 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.4 mmm -61.95 -44.55 96.54 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.232 -179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.32 -40.98 99.37 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.176 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.42 -44.05 98.85 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 97.6 mmm -66.85 -37.87 85.29 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.294 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -62.49 -42.28 99.39 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.131 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 17.7 m -66.09 -35.73 81.29 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.502 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -60.82 -45.01 96.12 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.783 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 96.5 t -59.77 -45.47 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 -62.71 -39.58 94.48 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 123.374 0.421 . . . . 0.0 111.171 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -62.29 -46.8 87.11 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.762 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.539 HG22 HD12 ' A' ' 49' ' ' ILE . 50.4 mm -64.58 -42.28 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.386 -179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -56.9 -45.78 82.37 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -64.94 -43.07 93.95 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -64.82 -48.88 72.8 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.247 0.342 . . . . 0.0 111.787 -179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.539 HD12 HG22 ' A' ' 45' ' ' ILE . 94.6 mt -65.48 -43.38 94.47 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.288 0 N-CA-C 110.026 -0.361 . . . . 0.0 110.026 -179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.41 88.69 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.9 -42.19 86.44 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -66.49 -42.97 86.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 120.463 0.173 . . . . 0.0 110.561 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -38.99 93.28 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.368 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 38.7 t -62.43 -43.08 99.66 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.446 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.85 -45.63 92.94 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.584 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.3 mt -61.94 -41.41 97.93 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.728 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -63.46 -37.39 87.1 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.327 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -65.03 -41.56 95.14 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.183 179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -62.63 -37.63 87.09 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.187 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -87.37 -0.4 56.71 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.228 -0.442 . . . . 0.0 112.076 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 59.46 30.31 19.97 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 120.833 0.349 . . . . 0.0 111.383 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.535 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 79.9 mtp85 -111.74 108.61 18.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.497 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 73.3 p -61.05 -45.72 93.62 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.251 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 10.5 m -71.32 134.31 46.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.835 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 129' ' ' SER . 81.0 mt -101.7 133.81 44.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 108.993 -0.743 . . . . 0.0 108.993 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 66.6 p -126.69 178.21 6.06 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.841 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.9 p -56.99 -32.03 65.68 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.845 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 52.3 mmm-85 -61.8 -44.61 96.53 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -178.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.2 mp0 -66.8 -45.02 79.72 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.601 -0.272 . . . . 0.0 110.907 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.702 HD11 ' HB1' ' A' ' 136' ' ' ALA . 90.1 mt -64.25 -42.34 95.14 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.032 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -55.45 -44.22 76.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 123.26 0.35 . . . . 0.0 110.624 -178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 12.8 m -63.55 -44.27 94.65 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.333 0.396 . . . . 0.0 110.116 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.55 -37.54 87.71 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.537 -179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 70' ' ' ILE . 53.2 t -62.14 -48.39 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 O-C-N 123.39 0.432 . . . . 0.0 110.311 -179.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' HG2' ' HB1' ' A' ' 83' ' ' ALA . 91.2 mtm180 -68.0 -37.75 81.81 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.184 0.302 . . . . 0.0 111.433 -179.021 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.666 HD23 ' O ' ' A' ' 76' ' ' LEU . 5.1 tt -66.95 -34.77 78.5 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 37.3 mt -90.22 -37.81 13.88 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.6 mp -88.9 149.62 43.88 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 112.34 0.496 . . . . 0.0 112.34 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.06 162.98 8.38 Favored 'Trans proline' 0 N--CA 1.5 1.907 0 C-N-CA 122.417 2.078 . . . . 0.0 111.574 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.21 -44.3 84.1 Favored Glycine 0 CA--C 1.529 0.966 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.44 -178.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.6 mp0 -65.15 -46.3 81.46 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.703 0.252 . . . . 0.0 111.446 -179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.92 -37.95 89.36 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.273 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.506 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -58.89 -41.35 86.95 Favored 'General case' 0 C--O 1.231 0.106 0 O-C-N 123.462 0.476 . . . . 0.0 111.474 -179.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -61.6 -44.44 97.01 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.247 0.342 . . . . 0.0 110.96 -179.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 66.2 m80 -68.62 -39.56 80.75 Favored 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.437 0.461 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -57.91 -35.61 71.28 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.007 -179.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 83' ' ' ALA . 94.6 t -62.07 -41.16 90.08 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 O-C-N 123.266 0.354 . . . . 0.0 110.166 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -62.46 -45.96 90.69 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -67.67 -46.21 72.99 Favored 'General case' 0 C--N 1.346 0.414 0 C-N-CA 123.97 0.908 . . . . 0.0 112.047 -178.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -70.82 -47.73 38.21 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 121.482 -0.39 . . . . 0.0 112.379 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.0 m -62.64 -47.97 81.41 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.463 0.173 . . . . 0.0 110.892 -179.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -64.24 -35.54 81.15 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.757 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.19 -39.46 79.0 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 88.8 t -66.24 -37.59 80.05 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.3 m -58.43 -39.3 79.42 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.843 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -57.89 -41.02 81.67 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.1 t80 -63.51 -43.38 97.37 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.289 -0.414 . . . . 0.0 109.907 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.4 m -66.77 -41.76 87.2 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.71 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.1 m -72.46 -35.16 68.18 Favored 'General case' 0 CA--C 1.499 -1.009 0 C-N-CA 125.533 1.533 . . . . 0.0 111.26 -179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.427 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 78.2 p -62.5 -38.28 89.3 Favored 'General case' 0 C--N 1.352 0.701 0 C-N-CA 123.346 0.658 . . . . 0.0 110.794 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 100' ' ' SER . . . 70.16 -68.46 0.2 Allowed 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.358 0.411 . . . . 0.0 110.417 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 10.0 p -138.58 103.26 4.82 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.626 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.719 ' HB3' ' HG2' ' A' ' 109' ' ' ARG . . . -104.1 -176.58 3.12 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.316 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -100.2 -65.97 0.93 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.49 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 82.8 p -91.59 160.88 15.17 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.486 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 -63.75 -43.87 95.18 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.464 0.478 . . . . 0.0 111.185 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -66.59 -32.91 74.55 Favored 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.418 0.449 . . . . 0.0 110.619 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -66.03 -32.84 74.54 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.3 0.375 . . . . 0.0 111.012 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.719 ' HG2' ' HB3' ' A' ' 103' ' ' ALA . 96.4 mtt180 -62.91 -35.62 80.67 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.772 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.574 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -102.41 -14.36 16.91 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.828 179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 60.12 64.44 4.16 Favored Glycine 0 CA--C 1.529 0.941 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.4 mt -129.69 142.14 50.77 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-O 120.546 0.212 . . . . 0.0 110.502 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -65.68 -44.49 86.07 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.574 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -66.53 145.29 98.94 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.714 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.506 ' O ' HG23 ' A' ' 119' ' ' VAL . 36.5 Cg_endo -66.61 102.97 0.64 Allowed 'Trans proline' 0 N--CA 1.5 1.886 0 C-N-CA 122.16 1.907 . . . . 0.0 112.095 -179.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 80.5 t -64.82 -42.87 96.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.385 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.05 -43.91 94.9 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.833 -0.507 . . . . 0.0 111.833 -178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 23.3 mtm180 -64.63 -36.23 83.59 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.47 0.135 . . . . 0.0 111.208 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 115' ' ' PRO . 95.0 t -59.97 -44.93 95.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -60.5 -45.24 94.49 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 123.352 0.407 . . . . 0.0 110.66 -179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.0 ttp85 -63.88 -40.65 97.03 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.35 -40.8 95.61 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.429 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.6 mt -61.15 -44.65 96.98 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.273 0.358 . . . . 0.0 110.939 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -71.27 -40.94 70.63 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.798 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -63.79 -39.52 94.45 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.83 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.46 -7.36 10.25 Favored Glycine 0 CA--C 1.541 1.692 0 CA-C-N 116.227 -0.442 . . . . 0.0 112.024 179.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.5 t30 62.08 20.71 11.84 Favored 'General case' 0 C--N 1.346 0.432 0 CA-C-N 117.058 0.429 . . . . 0.0 111.441 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -65.31 -41.72 93.75 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.396 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.5 ' HB3' HD11 ' A' ' 65' ' ' ILE . 83.6 p -145.09 157.57 44.07 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.72 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.1 tt0 -68.91 -38.57 79.67 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.752 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -129.74 148.56 51.64 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.944 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 47.2 t -130.95 138.2 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.75 177.29 52.37 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.597 -0.601 . . . . 0.0 111.597 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.467 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -92.92 -40.63 10.49 Favored 'General case' 0 C--O 1.239 0.512 0 CA-C-O 120.863 0.364 . . . . 0.0 110.748 179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.82 -27.86 73.12 Favored Glycine 0 CA--C 1.532 1.094 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.615 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.779 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -64.92 -59.84 9.37 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-O 118.931 -0.557 . . . . 0.0 110.266 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.779 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 43.4 Cg_exo -54.36 -33.52 76.94 Favored 'Trans proline' 0 N--CA 1.496 1.646 0 C-N-CA 121.834 1.689 . . . . 0.0 111.013 178.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.574 HG13 ' HB1' ' A' ' 110' ' ' ALA . 73.1 t -63.75 -47.85 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -63.35 -47.06 83.71 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.425 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.478 HD13 HG21 ' A' ' 49' ' ' ILE . 29.5 tp -62.7 -41.86 99.34 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.768 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -60.12 -41.0 91.68 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.975 -179.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.69 92.97 Favored 'General case' 0 C--O 1.233 0.223 0 O-C-N 123.367 0.417 . . . . 0.0 110.998 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.36 -44.69 97.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.268 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 75.3 mt -62.04 -40.47 95.84 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.068 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -62.43 -39.74 94.31 Favored 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.372 0.42 . . . . 0.0 110.424 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -61.02 -46.69 89.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.31 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 79.1 mt -62.43 -41.7 98.9 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.4 m -61.97 -45.07 95.24 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.731 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.486 ' HB2' ' CZ ' ' C' ' 697' ' ' TYR . . . -66.24 -38.65 88.4 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.749 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 67.3 tt0 -66.72 -42.28 86.57 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.241 0.338 . . . . 0.0 111.324 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.89 -42.98 96.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.8 mt -62.66 -41.71 99.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.699 -178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' C' ' 699' ' ' LEU . 48.9 tp10 -67.51 -41.29 84.68 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.177 0.298 . . . . 0.0 110.688 -179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.737 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 61.7 mt -62.03 -40.59 96.22 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.189 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.425 ' HB1' HG23 ' A' ' 167' ' ' ILE . . . -64.98 -36.46 84.47 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.432 179.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.77 -41.3 99.6 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 71.9 m-80 -61.69 -44.71 96.42 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.92 -37.52 84.5 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.802 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -58.96 -44.39 91.46 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.983 179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 -62.04 -39.52 92.6 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.026 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -63.6 -30.74 71.81 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.459 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -96.05 9.38 41.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.716 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 56.27 50.8 12.67 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 121.095 0.474 . . . . 0.0 111.135 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.802 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 99.2 mttt -143.65 108.65 4.96 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.72 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . 0.55 HG22 ' HA ' ' A' ' 28' ' ' THR . 10.3 m -61.68 -41.91 98.21 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.686 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 -68.84 147.82 51.16 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.235 -0.439 . . . . 0.0 109.981 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.425 HG23 ' HB1' ' A' ' 155' ' ' ALA . 65.9 mt -101.61 130.01 51.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.496 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 25.2 pt -124.33 165.73 23.08 Favored Pre-proline 0 CA--C 1.545 0.75 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.083 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -50.67 -33.82 41.25 Favored 'Trans proline' 0 N--CA 1.501 1.93 0 C-N-CA 122.275 1.983 . . . . 0.0 112.169 -179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -61.45 -43.74 98.34 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -66.64 -43.09 85.59 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.564 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.05 -42.48 99.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -67.28 -41.67 85.07 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.591 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 39.0 mt -63.29 -40.43 97.36 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.15 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.737 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -62.68 -44.2 96.85 Favored 'General case' 0 C--O 1.234 0.237 0 O-C-N 123.399 0.437 . . . . 0.0 111.076 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.64 -43.76 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.068 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -65.28 -34.26 77.93 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.274 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -77.42 -16.76 58.64 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 123.247 0.342 . . . . 0.0 111.654 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -103.03 115.69 31.09 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.5 -42.31 98.52 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.739 -179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -60.99 -49.1 78.83 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.573 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.44 -38.01 88.62 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.752 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -59.08 -41.37 87.88 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.321 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -64.24 -44.61 91.29 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.465 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 28.3 tp -64.03 -41.52 97.4 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.711 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 69.7 mt -99.88 20.06 14.98 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.131 -178.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.31 -38.76 69.68 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -97.6 17.82 16.9 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 75.6 t -123.06 129.1 75.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.9 t -110.99 129.81 55.78 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.343 178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 43.0 mm -64.22 -44.39 97.44 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.149 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -52.1 123.27 10.16 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.687 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -111.91 130.21 55.91 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.216 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.996 -1.447 . . . . 0.0 111.021 -179.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ttp . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -107.66 137.0 46.47 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.975 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -134.39 160.16 41.68 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.178 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -117.3 134.24 55.04 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.847 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.404 ' HB ' HG23 ' B' ' 13' ' ' ILE . 45.3 t -115.46 127.21 73.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -109.8 151.71 26.64 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.151 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 41.3 p -119.43 162.61 18.54 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.369 -179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.35 -26.8 68.92 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 67.4 p -69.65 -19.55 63.61 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 120.059 -1.651 . . . . 0.0 111.338 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.09 12.39 36.72 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 121.426 -0.796 . . . . 0.0 112.816 -171.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -85.73 131.78 34.26 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 117.145 0.472 . . . . 0.0 110.003 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 31.0 m -112.72 124.01 51.61 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.714 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.645 HD11 ' CD ' ' B' ' 33' ' ' LYS . 11.4 tt -122.76 133.58 68.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.485 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -82.32 134.42 35.27 Favored 'General case' 0 N--CA 1.43 -1.47 0 C-N-CA 123.624 0.769 . . . . 0.0 109.086 177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 29.3 tp -141.03 141.64 34.29 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 121.467 -0.77 . . . . 0.0 110.807 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -110.54 115.15 29.1 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.404 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -139.38 162.48 27.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.957 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -102.02 154.46 37.34 Favored Pre-proline 0 CA--C 1.542 0.669 0 O-C-N 123.208 0.317 . . . . 0.0 110.795 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -54.15 -39.23 86.92 Favored 'Trans proline' 0 N--CA 1.503 2.037 0 C-N-CA 122.364 2.043 . . . . 0.0 112.275 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.2 p -76.84 -9.1 58.45 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 116.033 -0.531 . . . . 0.0 112.091 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.25 141.21 58.11 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.654 0.264 . . . . 0.0 110.49 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.3 p -80.87 156.91 25.85 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.889 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.5 mm -63.28 -41.78 94.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.514 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -55.5 -39.89 71.02 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -63.19 -39.78 95.62 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.298 0.374 . . . . 0.0 110.079 178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 96.6 t -61.33 -46.47 96.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.812 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -63.48 -36.58 84.24 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.954 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.77 -40.07 93.87 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.26 0.35 . . . . 0.0 110.43 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -63.41 -40.11 96.32 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 109.886 179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.95 -41.29 92.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -55.79 -39.8 71.78 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -65.79 -40.71 92.21 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.461 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.645 ' CD ' HD11 ' B' ' 13' ' ' ILE . 68.8 mttm -78.33 -45.04 23.6 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.412 1.264 . . . . 0.0 114.412 -177.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -87.93 -39.58 14.64 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 126.003 1.721 . . . . 0.0 114.124 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.08 27.45 31.08 Favored Glycine 0 C--N 1.351 1.405 0 C-N-CA 124.868 1.223 . . . . 0.0 111.799 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 69.0 mt -101.82 133.38 20.78 Favored Pre-proline 0 CA--C 1.548 0.884 0 CA-C-O 119.229 -0.415 . . . . 0.0 109.983 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -48.12 130.1 19.74 Favored 'Trans proline' 0 N--CA 1.499 1.849 0 C-N-CA 122.014 1.81 . . . . 0.0 112.185 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -61.95 -35.65 76.1 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.262 1.974 . . . . 0.0 112.661 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.77 -34.17 75.12 Favored 'General case' 0 N--CA 1.432 -1.359 0 O-C-N 121.292 -0.88 . . . . 0.0 108.671 -179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 tt0 -81.53 5.84 16.68 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 116.729 -0.214 . . . . 0.0 111.394 -173.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -105.6 134.66 48.36 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-O 120.854 0.359 . . . . 0.0 111.279 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.631 HH22 HD11 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -113.3 126.59 55.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.585 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 76.8 mt -109.36 135.91 49.64 Favored 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.631 HD11 HH22 ' B' ' 42' ' ' ARG . 97.1 mt -124.17 139.57 50.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -125.26 122.56 37.29 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 58.57 26.7 14.71 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.634 -179.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.91 15.44 75.11 Favored Glycine 0 CA--C 1.536 1.405 0 N-CA-C 112.185 -0.366 . . . . 0.0 112.185 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -112.21 135.55 52.74 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.972 0.386 . . . . 0.0 110.311 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -61.04 146.64 46.5 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.304 0.377 . . . . 0.0 110.457 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 84.3 mt -115.67 134.03 55.44 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.061 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -92.49 139.95 30.06 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.946 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -62.05 -42.78 99.55 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.879 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.04 -18.63 64.9 Favored Glycine 0 CA--C 1.534 1.233 0 CA-C-N 115.988 -0.551 . . . . 0.0 113.184 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -90.43 156.54 18.14 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 117.135 0.467 . . . . 0.0 111.231 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 75.2 p -98.82 167.65 10.63 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.773 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.4 -39.15 93.72 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.511 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.5 t -58.1 -31.69 67.37 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.68 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.95 -34.71 76.62 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.102 0.251 . . . . 0.0 111.079 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -92.03 12.39 22.07 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 123.178 0.299 . . . . 0.0 111.748 179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 55.13 56.27 6.7 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 121.174 0.511 . . . . 0.0 111.17 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 65.5 mt -100.24 124.13 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -100.57 -173.81 2.49 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.729 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -62.78 142.06 58.35 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.867 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 57.7 87.21 0.07 Allowed 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.241 -179.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 59.9 p -131.23 154.77 48.09 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.453 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 12.8 m -107.85 120.4 42.16 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.42 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 73.8 mt -116.51 127.43 54.54 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.146 179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -85.47 140.3 30.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.038 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.8 tp -111.12 133.11 53.74 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.916 -177.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.749 ' CG2' ' HB1' ' C' ' 673' ' ' ALA . 15.9 t -134.83 164.37 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.586 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.475 ' N ' HG12 ' B' ' 70' ' ' VAL . 16.6 tp -98.3 116.36 30.37 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.721 -178.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -78.72 134.27 37.09 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.434 HD22 ' NE ' ' C' ' 684' ' ' ARG . 39.1 mt -124.99 16.72 8.53 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.394 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -61.6 -39.08 89.95 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.541 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -150.54 155.19 26.06 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.57 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.329 0 N-CA-C 109.434 -1.466 . . . . 0.0 109.434 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -65.73 -38.72 89.91 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 120.659 0.266 . . . . 0.0 110.763 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 95.6 mmm -110.23 165.29 11.88 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.562 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.71 52.39 0.6 Allowed Pre-proline 0 CA--C 1.554 1.113 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.525 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -76.56 -5.54 16.17 Favored 'Trans proline' 0 N--CA 1.503 2.084 0 C-N-CA 122.274 1.983 . . . . 0.0 112.711 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.402 HG12 ' CE ' ' C' ' 659' ' ' MET . 48.8 t -61.07 -41.42 89.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.516 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 29.8 mt -60.21 -42.94 96.22 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 123.042 0.214 . . . . 0.0 111.086 -179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -66.56 -39.71 88.64 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.175 0.297 . . . . 0.0 110.689 179.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -69.64 -38.27 77.1 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.181 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 72.5 mtm -63.88 -40.86 97.51 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.996 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.56 -46.1 87.44 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.237 0.335 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -69.09 -43.69 74.03 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.134 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.81 -38.69 89.62 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.318 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 25.6 mt -61.98 -42.8 99.54 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.296 0.372 . . . . 0.0 111.221 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -64.1 -41.7 97.18 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.276 0.36 . . . . 0.0 110.855 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -70.94 -39.86 72.37 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.138 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' C' ' 670' ' ' ARG . 75.4 tt0 -65.08 -47.25 77.96 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.435 -179.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.85 -32.95 74.76 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.759 0.662 . . . . 0.0 111.065 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -60.44 -42.31 95.86 Favored 'General case' 0 C--O 1.234 0.262 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.37 -39.1 91.86 Favored 'General case' 0 C--N 1.339 0.114 0 O-C-N 123.444 0.465 . . . . 0.0 110.581 179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . 0.414 ' HG3' ' O ' ' C' ' 666' ' ' GLU . 32.0 mtm180 -64.43 -40.0 94.9 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.347 0.404 . . . . 0.0 110.799 -179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -64.84 -45.95 83.97 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.305 0.378 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.515 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -64.28 -42.34 96.46 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 178.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.749 ' HB1' ' CG2' ' B' ' 70' ' ' VAL . . . -62.46 -39.68 94.18 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.632 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.29 -38.37 90.91 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.304 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -62.3 -43.35 99.04 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.487 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.435 HD12 ' NH2' ' B' ' 42' ' ' ARG . 60.9 mt -66.72 -39.92 88.2 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.5 tp60 -59.99 -39.67 86.54 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.924 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -67.94 -45.53 74.02 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.427 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 65.5 mtm -65.44 -43.93 88.9 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.259 0.35 . . . . 0.0 111.419 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -63.54 -40.99 98.45 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.471 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -66.01 -34.66 78.6 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.497 0.498 . . . . 0.0 110.631 178.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -62.09 -38.25 88.15 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.62 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -56.57 -41.1 76.36 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.225 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.434 ' NE ' HD22 ' B' ' 73' ' ' LEU . 90.5 mtt-85 -76.45 -26.56 55.57 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.386 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -46.44 106.72 0.09 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.05 0.452 . . . . 0.0 110.597 -179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 68.5 p -82.85 168.1 17.44 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.474 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 60.4 t -64.13 -41.97 94.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.935 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 14.7 m -50.23 165.81 0.08 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.839 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -51.97 -65.38 0.57 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.673 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 46.41 40.07 7.43 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.58 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.94 133.28 55.94 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.366 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -102.9 151.23 18.01 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 21.3 p -154.03 164.65 38.11 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.512 0.196 . . . . 0.0 110.596 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.85 127.76 71.08 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.105 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -150.21 119.61 6.89 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.003 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -59.65 90.29 0.02 OUTLIER 'General case' 0 C--O 1.236 0.366 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.4 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 149' ' ' ALA . 0.1 OUTLIER 54.45 -166.73 0.09 Allowed 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.233 179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 26.6 tp -115.5 126.86 54.81 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.641 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' A' ' 153' ' ' GLU . 4.3 mm? -107.45 132.8 52.81 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.514 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 73.9 ttp85 -62.85 -41.83 99.51 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.334 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 28.6 t -58.5 137.61 57.26 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.576 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 19.6 m -82.57 177.96 8.45 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 40.8 t-20 -84.83 114.63 22.23 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.598 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 69.8 mtm -62.53 -41.09 98.63 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.5 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -67.13 143.82 56.41 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.685 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -93.39 -10.82 59.01 Favored Glycine 0 CA--C 1.537 1.408 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.678 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -62.4 -38.51 89.93 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.673 0.236 . . . . 0.0 110.63 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 85.6 tttt . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.341 179.931 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 . . . . . 0 N--CA 1.493 1.678 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.36 -41.51 96.68 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.824 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.428 ' OE1' HD13 ' A' ' 122' ' ' LEU . 99.4 mt-10 -107.77 130.9 54.92 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.216 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.6 m -103.98 83.96 2.18 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.439 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -106.63 25.88 10.66 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.385 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 17' ' ' VAL . 72.0 p -58.74 -43.12 90.15 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.973 0.416 . . . . 0.0 110.428 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 80.9 mt -69.04 -40.82 81.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.41 ' CZ ' ' HG3' ' A' ' 115' ' ' PRO . 89.2 m-85 -65.43 -42.25 92.65 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.836 -0.62 . . . . 0.0 112.142 -178.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 14' ' ' SER . 12.1 p -64.21 -37.54 80.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.457 -0.571 . . . . 0.0 109.457 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -57.36 -41.17 79.6 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 109.746 -0.465 . . . . 0.0 109.746 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -60.09 -45.45 92.89 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.214 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.31 -43.28 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.549 ' HA ' HG12 ' A' ' 24' ' ' VAL . 38.7 tp -59.66 -36.52 76.57 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.601 -179.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -65.0 -37.23 86.97 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.557 -178.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -37.82 37.25 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.756 -178.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.549 HG12 ' HA ' ' A' ' 21' ' ' LEU . 3.3 p -81.03 -29.76 11.42 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.762 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -177.85 90.11 0.23 Allowed Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.166 -179.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo -68.55 -28.28 31.95 Favored 'Trans proline' 0 N--CA 1.503 2.073 0 C-N-CA 122.528 2.152 . . . . 0.0 113.157 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -61.78 -44.73 96.3 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.833 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.6 p -78.1 137.86 38.43 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.218 0.324 . . . . 0.0 110.816 -179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.83 174.01 23.09 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.512 -1.035 . . . . 0.0 110.512 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.445 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 17.1 tt -135.42 142.14 40.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.674 0.273 . . . . 0.0 110.269 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.2 p -81.69 159.95 23.8 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.258 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -61.94 -36.88 82.7 Favored 'General case' 0 N--CA 1.441 -0.92 0 C-N-CA 124.635 1.174 . . . . 0.0 109.657 -177.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -66.54 -37.63 85.42 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.823 0.849 . . . . 0.0 110.566 179.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' HB3' ' CG1' ' A' ' 30' ' ' ILE . . . -64.03 -36.7 84.86 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.861 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.434 ' SD ' HD13 ' A' ' 30' ' ' ILE . 22.4 mmm -62.1 -44.77 95.94 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.235 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.18 99.54 Favored Glycine 0 CA--C 1.526 0.745 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.232 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.81 -44.33 99.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 98.5 mmm -65.93 -37.67 86.65 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.106 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -63.15 -41.23 99.23 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.951 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.4 m -65.89 -35.75 81.5 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.276 178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -60.84 -44.29 97.18 Favored 'General case' 0 C--O 1.233 0.187 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 80.0 t -61.33 -44.24 98.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -62.79 -43.47 98.72 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.42 0.45 . . . . 0.0 111.198 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -62.4 -46.65 87.66 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.41 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.513 HG22 HD12 ' A' ' 49' ' ' ILE . 40.1 mm -64.61 -42.07 94.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.042 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -57.17 -45.97 83.18 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 -179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.8 -43.59 88.22 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 94.3 mtt180 -64.0 -49.28 73.08 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.513 HD12 HG22 ' A' ' 45' ' ' ILE . 92.4 mt -64.96 -43.32 96.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.194 -179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.72 -42.2 88.18 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.463 0.477 . . . . 0.0 111.341 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.14 -40.22 96.72 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.575 -0.61 . . . . 0.0 111.575 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 67.0 tt0 -68.96 -41.4 78.03 Favored 'General case' 0 N--CA 1.452 -0.339 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.33 -40.9 94.27 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.433 179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.1 m -61.07 -42.34 98.31 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.21 179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -62.61 -41.45 98.99 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.963 179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.31 -40.15 95.36 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.659 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.543 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -60.62 -38.84 86.05 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.362 0.414 . . . . 0.0 110.36 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 85.2 m-70 -62.86 -44.14 96.92 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.213 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -64.79 -35.64 81.73 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.414 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -85.31 2.67 43.12 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.9 mttt 53.91 30.13 11.07 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 120.814 0.34 . . . . 0.0 111.376 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.543 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 84.7 mtt85 -125.12 111.2 15.04 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.552 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 77.9 p -62.54 -49.06 76.81 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.177 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.0 m -58.75 116.61 3.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.688 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.443 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 93.2 mt -82.81 136.26 23.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.406 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 78.5 p -129.67 173.01 11.02 Favored 'General case' 0 C--O 1.237 0.41 0 O-C-N 123.705 0.628 . . . . 0.0 111.032 -179.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.6 p -57.9 -32.82 68.1 Favored 'General case' 0 C--N 1.334 -0.098 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.759 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.6 mtm-85 -59.83 -43.92 94.31 Favored 'General case' 0 C--O 1.237 0.425 0 O-C-N 123.124 0.265 . . . . 0.0 111.269 -178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' OE2' ' HA ' ' A' ' 65' ' ' ILE . 94.5 mt-10 -64.62 -42.04 95.78 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.413 0.446 . . . . 0.0 110.407 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.466 ' O ' HG23 ' A' ' 74' ' ' VAL . 83.3 mt -64.14 -42.7 96.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.084 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -55.17 -43.47 74.33 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.08 0.238 . . . . 0.0 111.064 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.9 m -63.03 -46.37 87.86 Favored 'General case' 0 C--O 1.234 0.286 0 O-C-N 123.279 0.362 . . . . 0.0 110.425 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.83 -37.42 87.31 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.656 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 70' ' ' ILE . 55.3 t -62.78 -44.88 99.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.38 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -65.05 -37.37 87.34 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.291 0.37 . . . . 0.0 111.581 -178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 67.1 mt -73.85 -32.82 63.84 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -178.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 67.7 mt -87.23 -37.5 17.2 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 112.808 0.669 . . . . 0.0 112.808 -178.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.41 ' N ' HD12 ' A' ' 78' ' ' LEU . 7.2 mp -92.99 145.18 29.63 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 112.065 0.394 . . . . 0.0 112.065 -178.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -53.47 -177.66 0.03 OUTLIER 'Trans proline' 0 N--CA 1.502 1.987 0 C-N-CA 122.414 2.076 . . . . 0.0 111.742 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.67 -49.47 59.62 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 116.495 -0.32 . . . . 0.0 113.006 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -68.89 -38.06 79.42 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.834 0.317 . . . . 0.0 111.608 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.495 HD11 ' NH1' ' C' ' 700' ' ' ARG . 4.6 mm? -62.2 -41.45 98.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.514 -179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.504 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -62.72 -39.0 92.71 Favored 'General case' 0 N--CA 1.462 0.158 0 O-C-N 123.454 0.472 . . . . 0.0 111.697 -179.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -61.65 -47.29 86.06 Favored 'General case' 0 C--O 1.233 0.21 0 O-C-N 123.227 0.329 . . . . 0.0 111.192 -178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.407 ' CB ' ' CZ ' ' A' ' 146' ' ' TYR . 30.3 m-70 -67.5 -37.41 82.77 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.397 0.436 . . . . 0.0 111.475 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.07 -37.72 83.68 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.199 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 83' ' ' ALA . 83.6 t -63.76 -39.78 86.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 O-C-N 123.423 0.452 . . . . 0.0 110.355 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -59.96 -51.26 70.43 Favored 'General case' 0 CA--C 1.494 -1.182 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -69.0 -40.98 78.42 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 122.531 0.332 . . . . 0.0 111.806 -177.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.05 -45.57 71.56 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 121.498 -0.382 . . . . 0.0 112.152 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 89.1 m -62.55 -47.29 84.5 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.529 0.204 . . . . 0.0 110.669 -179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -64.71 -37.84 88.95 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.774 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.79 -41.16 86.05 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 62.5 t -67.77 -37.85 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 17.9 m -57.73 -42.85 84.68 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.774 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -60.56 -43.41 97.3 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -60.88 -44.23 97.38 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 179.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.3 p -69.45 -33.86 73.55 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.472 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.3 t -71.9 -56.58 5.44 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 126.114 1.766 . . . . 0.0 111.547 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 65.5 m -63.48 -43.63 96.72 Favored 'General case' 0 C--N 1.358 0.963 0 CA-C-N 117.843 0.292 . . . . 0.0 110.781 -179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 100' ' ' SER . . . 70.44 -67.44 0.24 Allowed 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.8 m -123.34 127.16 48.12 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.592 ' HB3' ' HG3' ' A' ' 109' ' ' ARG . . . -148.32 157.98 43.82 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.335 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -63.14 -41.7 99.33 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.173 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 20.9 m -108.38 139.2 43.44 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.759 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.4 mtm-85 -66.3 -41.92 89.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.139 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.7 m -64.8 -32.5 74.23 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.593 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.0 t -60.03 -40.96 91.13 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.47 0.481 . . . . 0.0 110.681 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.592 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 93.0 mtm-85 -63.23 -33.69 76.03 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.382 0.426 . . . . 0.0 110.737 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.666 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -84.43 -29.18 26.34 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.636 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 73.16 30.47 62.9 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.499 -0.64 . . . . 0.0 111.499 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.469 HD13 ' HB3' ' A' ' 141' ' ' ALA . 84.0 mt -109.5 140.63 43.03 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.648 0.261 . . . . 0.0 110.476 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.89 -45.32 93.11 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.522 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -63.3 144.27 97.54 Favored Pre-proline 0 CA--C 1.546 0.794 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.797 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.41 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 16.6 Cg_exo -66.44 108.57 1.42 Allowed 'Trans proline' 0 N--CA 1.505 2.183 0 C-N-CA 122.35 2.033 . . . . 0.0 111.903 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.507 HG11 HG22 ' A' ' 138' ' ' VAL . 84.4 t -65.25 -42.99 95.32 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.266 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -57.68 -39.91 91.9 Favored Glycine 0 CA--C 1.528 0.851 0 N-CA-C 111.635 -0.586 . . . . 0.0 111.635 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -64.71 -41.88 95.68 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.381 0.134 . . . . 0.0 110.964 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.2 t -62.41 -45.41 98.86 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -60.33 -44.36 95.57 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.35 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -66.28 -38.03 86.83 Favored 'General case' 0 C--N 1.331 -0.199 0 O-C-N 123.633 0.583 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.428 HD13 ' OE1' ' A' ' 11' ' ' GLU . 34.6 mt -62.6 -41.02 98.72 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.451 -179.165 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.08 -45.89 92.9 Favored 'General case' 0 N--CA 1.464 0.228 0 O-C-N 123.341 0.4 . . . . 0.0 110.889 -179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -66.18 -40.61 90.6 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.736 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.65 -38.72 91.97 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.612 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.82 -2.89 19.11 Favored Glycine 0 CA--C 1.54 1.636 0 N-CA-C 111.948 -0.461 . . . . 0.0 111.948 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 58.13 31.29 20.55 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.957 0.379 . . . . 0.0 111.51 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -64.06 -40.57 96.56 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.299 179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 21.3 t -155.74 170.43 22.07 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.687 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.17 -39.15 75.46 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.039 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -130.15 151.07 51.08 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.954 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.7 t -130.81 139.54 50.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -84.11 175.22 51.4 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -89.27 -51.41 5.59 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.467 -0.366 . . . . 0.0 110.79 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -61.71 -31.22 77.24 Favored Glycine 0 CA--C 1.531 1.067 0 N-CA-C 111.538 -0.625 . . . . 0.0 111.538 179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.51 ' HB3' ' CD ' ' A' ' 137' ' ' PRO . . . -55.78 -62.01 5.33 Favored Pre-proline 0 CA--C 1.544 0.732 0 CA-C-O 119.05 -0.5 . . . . 0.0 110.523 -179.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.51 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 18.4 Cg_endo -60.79 -31.0 91.33 Favored 'Trans proline' 0 N--CA 1.498 1.771 0 C-N-CA 121.753 1.635 . . . . 0.0 111.498 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.666 HG13 ' HB1' ' A' ' 110' ' ' ALA . 71.6 t -62.9 -46.11 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.427 ' O ' HG23 ' A' ' 143' ' ' VAL . 29.8 t80 -61.38 -44.97 96.25 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.074 -179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 31.7 tp -62.47 -41.78 99.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.552 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.469 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -58.58 -40.74 84.03 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.971 -179.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.49 -39.4 88.71 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.181 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 139' ' ' TYR . 71.0 t -63.93 -44.02 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.279 -179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.2 mt -62.89 -41.49 99.44 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.988 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -60.58 -41.7 95.19 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.407 ' CZ ' ' CB ' ' A' ' 85' ' ' HIS . 84.2 t80 -61.14 -47.44 86.22 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.266 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 37.6 mt -62.68 -41.39 99.08 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.122 -179.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.1 m -62.09 -45.13 94.85 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.95 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.78 94.94 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.743 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -67.23 -41.08 86.27 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.257 0.348 . . . . 0.0 111.604 -178.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.22 -43.03 97.22 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 81.6 mt -62.95 -40.94 99.2 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.625 -178.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -64.7 -43.89 92.01 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.123 0.264 . . . . 0.0 110.529 -179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.529 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 67.0 mt -63.79 -38.11 89.88 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.104 179.568 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -65.17 -37.44 87.36 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.373 179.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.22 -41.86 99.61 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 57.9 m-80 -62.5 -42.66 99.65 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 110.397 -0.223 . . . . 0.0 110.397 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.38 -46.61 88.2 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -64.99 -36.51 84.62 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.841 178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -60.46 -42.34 95.98 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.807 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.98 -32.37 73.89 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.493 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 75.7 m-80 -89.94 12.4 17.59 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.813 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 56.8 41.35 28.21 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 121.078 0.466 . . . . 0.0 111.167 179.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt -128.03 143.03 51.06 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.675 179.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 13.6 p -96.79 -22.21 17.08 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.013 179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -85.14 147.8 26.44 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.298 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 67.6 mt -105.41 129.12 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.4 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 26.4 pt -125.8 165.92 24.21 Favored Pre-proline 0 CA--C 1.543 0.694 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.233 -179.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 76.6 Cg_exo -50.65 -34.72 44.57 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 122.236 1.957 . . . . 0.0 112.052 -179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 52.8 mmm-85 -61.54 -41.27 97.1 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -66.5 -43.18 86.02 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.311 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.13 -44.66 96.14 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 50.2 tt0 -65.72 -43.04 90.3 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.382 0.426 . . . . 0.0 110.717 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 23.3 mt -63.08 -42.82 99.71 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.221 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.529 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -59.3 -43.59 92.61 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.383 0.427 . . . . 0.0 111.201 -179.224 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.503 HD13 HD13 ' A' ' 186' ' ' LEU . 96.7 mt -64.98 -43.31 96.19 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -65.43 -34.06 77.42 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.27 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -76.28 -15.5 59.99 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.177 0.298 . . . . 0.0 111.535 -179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -106.62 117.34 33.8 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.34 -39.8 95.52 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.725 -178.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.87 -46.78 83.4 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.275 0.359 . . . . 0.0 111.551 -179.041 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 76.1 mt -63.92 -38.4 90.95 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.335 179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -60.13 -38.37 82.86 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 123.548 0.53 . . . . 0.0 109.894 179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.58 -45.34 90.85 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.334 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.6 tp -66.85 -41.88 86.62 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.968 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.503 HD13 HD13 ' A' ' 176' ' ' ILE . 74.0 mt -100.1 21.7 12.45 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.283 -178.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.97 -30.2 60.04 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 -112.69 28.61 8.64 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 111.598 0.222 . . . . 0.0 111.598 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 57.3 t -128.49 128.57 68.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.208 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 36.4 m -107.86 124.15 49.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.445 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 43.2 mm -64.19 -45.43 96.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.074 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -117.58 95.24 4.86 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.627 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.01 -39.18 90.05 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.311 179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.791 0 CA-C-O 117.917 -1.49 . . . . 0.0 111.094 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.7 ptt? . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -95.43 131.29 41.73 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.923 -0.581 . . . . 0.0 109.779 179.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.415 HD12 HD12 ' B' ' 67' ' ' LEU . 37.8 pt -130.45 155.51 41.78 Favored 'Isoleucine or valine' 0 C--O 1.234 0.247 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.066 179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -106.04 141.94 36.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.913 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.4 t -121.39 127.66 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.1 tttp -113.89 152.15 31.17 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.331 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 63.9 p -126.07 162.91 24.23 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.392 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.8 mt -68.81 -19.1 64.27 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.11 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 59.7 p -69.43 -21.76 63.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 O-C-N 120.208 -1.558 . . . . 0.0 111.269 177.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.4 15.02 26.45 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 121.293 -0.879 . . . . 0.0 112.703 -172.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -103.32 149.93 24.26 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 117.1 0.45 . . . . 0.0 110.151 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.7 m -132.47 129.44 39.22 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.078 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 42.8 pt -124.01 138.31 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.452 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.9 t -81.08 139.03 35.92 Favored 'General case' 0 N--CA 1.432 -1.329 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.8 tp -138.01 137.96 38.38 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.787 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -110.2 116.44 31.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.053 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.8 m -135.22 161.97 38.8 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.079 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -105.95 153.06 40.38 Favored Pre-proline 0 CA--C 1.542 0.637 0 O-C-N 123.193 0.308 . . . . 0.0 110.707 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -56.65 -31.45 87.38 Favored 'Trans proline' 0 N--CA 1.501 1.97 0 C-N-CA 122.314 2.009 . . . . 0.0 112.424 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 55.3 m -81.5 -16.6 51.37 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.9 142.01 58.04 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.006 0.191 . . . . 0.0 110.576 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.444 HG22 HG22 ' B' ' 55' ' ' THR . 33.7 p -79.02 159.98 27.36 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.876 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 27.3 mm -63.89 -42.2 95.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.331 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -56.62 -39.21 73.22 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.245 0.341 . . . . 0.0 110.099 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -62.58 -39.23 93.05 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.264 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 58.7 t -60.66 -45.24 97.81 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.829 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -61.07 -36.18 78.94 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.991 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.21 -43.79 95.68 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.254 0.346 . . . . 0.0 110.344 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -64.29 -39.64 94.33 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.922 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.29 -41.5 92.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 17.8 tm0? -55.71 -38.35 69.61 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -64.93 -38.04 89.65 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.083 179.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -83.66 -36.12 24.05 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -178.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.546 ' HG2' ' CD1' ' B' ' 36' ' ' ILE . 2.1 tp10 -91.81 -37.72 12.78 Favored 'General case' 0 N--CA 1.435 -1.199 0 O-C-N 121.038 -1.039 . . . . 0.0 113.492 178.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.94 27.9 27.49 Favored Glycine 0 C--N 1.359 1.852 0 C-N-CA 124.16 0.886 . . . . 0.0 111.726 -173.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.546 ' CD1' ' HG2' ' B' ' 34' ' ' GLU . 52.9 mt -112.25 139.01 22.04 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 119.193 -0.432 . . . . 0.0 110.249 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -59.02 129.96 34.27 Favored 'Trans proline' 0 N--CA 1.499 1.834 0 C-N-CA 122.021 1.814 . . . . 0.0 111.82 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -62.41 -25.42 76.13 Favored 'Trans proline' 0 N--CA 1.503 2.053 0 C-N-CA 122.285 1.99 . . . . 0.0 112.828 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -67.02 -35.97 81.09 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 117.362 -1.735 . . . . 0.0 109.174 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -88.84 9.18 25.66 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 120.702 -0.399 . . . . 0.0 111.869 -174.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -105.74 140.01 39.44 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.677 0.275 . . . . 0.0 111.694 -179.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.453 HH21 HD13 ' C' ' 676' ' ' LEU . 20.3 mtp85 -119.39 129.09 54.62 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.605 178.529 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.0 mt -108.3 130.57 55.18 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.573 HD11 HD12 ' C' ' 676' ' ' LEU . 85.5 mt -121.23 132.21 71.15 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 O-C-N 123.653 0.596 . . . . 0.0 110.972 -178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' B' ' 46' ' ' ALA . 90.7 t80 -128.52 132.09 48.3 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' B' ' 45' ' ' PHE . . . 67.21 12.29 8.86 Favored 'General case' 0 CA--C 1.546 0.811 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.888 -178.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.77 11.59 70.52 Favored Glycine 0 CA--C 1.542 1.763 0 CA-C-O 120.123 -0.265 . . . . 0.0 112.799 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -120.37 138.08 53.94 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 tp60 -57.43 152.18 15.0 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.553 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.2 mt -114.54 134.19 55.22 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.978 -0.556 . . . . 0.0 111.172 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -82.05 132.12 35.25 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.681 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -64.51 -35.36 80.7 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.96 -0.564 . . . . 0.0 112.147 -178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -67.83 -22.73 73.95 Favored Glycine 0 CA--C 1.536 1.35 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.392 -178.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 72.0 mtm-85 -89.3 156.14 18.92 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 117.299 0.55 . . . . 0.0 111.203 -179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.444 HG22 HG22 ' B' ' 22' ' ' THR . 78.0 p -94.59 167.52 11.43 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.15 -41.42 98.27 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.365 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 96.9 p -57.77 -32.63 67.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.398 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -66.41 -24.64 66.49 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.202 0.314 . . . . 0.0 111.221 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -93.15 8.05 41.72 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 123.149 0.281 . . . . 0.0 111.745 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 70.5 m-20 57.03 33.4 23.28 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 121.04 0.448 . . . . 0.0 111.138 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -77.19 134.67 28.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -110.61 -174.98 2.6 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.815 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.06 144.16 55.61 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.584 0.553 . . . . 0.0 109.619 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 58.21 82.23 0.14 Allowed 'General case' 0 C--O 1.237 0.423 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.23 -179.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.7 m -127.7 151.78 48.54 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.247 179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.5 m -106.13 127.34 53.13 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.57 -179.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.415 HD12 HD12 ' B' ' 3' ' ' ILE . 76.7 mt -118.95 124.69 47.67 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.816 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -89.24 146.55 24.67 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.239 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 18.2 tp -110.85 132.76 53.93 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.782 -178.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.599 HG22 ' HB1' ' C' ' 673' ' ' ALA . 22.0 t -134.36 163.09 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 115.279 -0.873 . . . . 0.0 108.843 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.477 ' N ' HG12 ' B' ' 70' ' ' VAL . 15.5 tp -105.51 126.92 52.69 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.574 0.226 . . . . 0.0 111.588 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -90.56 135.09 33.92 Favored 'General case' 0 N--CA 1.445 -0.716 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 70.2 mt -116.74 -2.62 11.84 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.506 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.33 -45.18 80.47 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.626 -0.261 . . . . 0.0 110.743 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.02 -148.82 6.53 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.528 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.901 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.278 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -106.46 132.61 52.28 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.781 0.324 . . . . 0.0 110.847 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 99.4 mtp -111.58 132.87 54.24 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.487 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.35 -60.2 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.814 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.288 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.99 -20.52 57.46 Favored 'Trans proline' 0 N--CA 1.506 2.234 0 C-N-CA 122.31 2.007 . . . . 0.0 112.957 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 48.9 t -62.27 -42.18 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.485 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 51.8 mt -60.66 -43.84 97.16 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.077 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -65.59 -38.06 88.41 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 123.12 0.263 . . . . 0.0 110.695 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -69.25 -40.19 78.0 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.063 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 75.0 mtm -65.01 -39.49 93.51 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.979 -179.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.84 -43.73 98.26 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.288 0.368 . . . . 0.0 110.841 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -63.71 -43.78 95.55 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.178 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -65.14 -39.73 93.43 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.265 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 37.8 mt -63.71 -38.06 89.67 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.091 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -64.07 -42.4 97.01 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.287 0.367 . . . . 0.0 111.114 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -71.87 -42.27 67.06 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.185 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . 0.446 ' O ' ' HG3' ' C' ' 670' ' ' ARG . 43.9 tt0 -65.28 -48.44 73.17 Favored 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.443 0.464 . . . . 0.0 110.449 -179.361 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -63.86 -32.37 73.86 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.65 0.593 . . . . 0.0 111.119 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -58.78 -44.32 90.66 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.13 -35.48 76.43 Favored 'General case' 0 C--O 1.226 -0.156 0 O-C-N 123.574 0.546 . . . . 0.0 110.564 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . 0.446 ' HG3' ' O ' ' C' ' 666' ' ' GLU . 38.9 mtm180 -65.42 -41.28 93.72 Favored 'General case' 0 N--CA 1.467 0.419 0 O-C-N 123.332 0.395 . . . . 0.0 110.9 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -65.36 -46.77 78.84 Favored 'General case' 0 C--O 1.233 0.219 0 O-C-N 123.28 0.363 . . . . 0.0 110.559 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.469 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -67.11 -39.73 86.74 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.599 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -62.76 -40.07 96.15 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.667 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 21.4 tp -63.76 -38.23 90.33 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.128 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -61.7 -41.36 97.49 Favored 'General case' 0 CA--C 1.527 0.06 0 O-C-N 123.423 0.452 . . . . 0.0 110.342 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.573 HD12 HD11 ' B' ' 44' ' ' ILE . 48.1 mt -63.1 -43.56 98.15 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.279 0.362 . . . . 0.0 110.063 179.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.28 -42.95 96.53 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.102 -179.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -69.52 -44.91 70.06 Favored 'General case' 0 N--CA 1.466 0.325 0 O-C-N 123.319 0.387 . . . . 0.0 111.528 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 68.2 mtm -62.96 -44.04 97.13 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.308 -178.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -62.31 -41.47 98.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.594 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -67.39 -35.95 80.34 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.423 0.452 . . . . 0.0 110.775 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -64.45 -41.34 96.61 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.47 -23.42 62.72 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.594 179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -44.21 90.78 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 60.93 73.8 0.47 Allowed 'General case' 0 C--O 1.238 0.47 0 O-C-N 123.887 0.742 . . . . 0.0 110.723 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . 0.477 HG22 ' N ' ' C' ' 687' ' ' VAL . 10.8 m -141.6 164.39 30.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.437 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . 0.477 ' N ' HG22 ' C' ' 686' ' ' THR . 49.8 t -80.9 130.79 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.365 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.08 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 96.6 p -116.26 156.35 26.76 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.763 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -68.83 141.41 55.14 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.515 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -60.37 -43.43 96.55 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.466 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -91.8 154.87 18.63 Favored 'General case' 0 N--CA 1.463 0.208 0 O-C-N 123.325 0.391 . . . . 0.0 110.444 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -57.14 150.78 28.37 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.683 -0.967 . . . . 0.0 110.683 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 90.6 p -72.32 162.91 28.82 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.24 128.71 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.416 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.904 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 21.5 p-10 -123.58 42.76 3.14 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.132 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -134.94 154.43 51.7 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -70.03 142.83 52.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.106 179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 69.3 mt -60.14 -59.56 5.22 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.38 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 5.8 mp 62.3 125.16 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 O-C-N 123.387 0.429 . . . . 0.0 110.381 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . 0.495 ' NH1' HD11 ' A' ' 82' ' ' LEU . 88.9 mtm-85 -60.77 -42.56 97.73 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.284 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 43.8 t -160.16 84.72 0.73 Allowed 'General case' 0 C--O 1.237 0.43 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.391 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 35.3 t -62.56 -44.0 97.41 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.762 -179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -128.28 135.01 49.06 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.712 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 78.1 mtm -110.98 136.06 50.55 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.291 179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -156.39 156.03 33.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.682 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -122.7 135.21 10.0 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -90.42 149.34 22.29 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.579 0.228 . . . . 0.0 110.509 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 118.041 -0.98 . . . . 0.0 110.306 179.866 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.5 mmt180 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -77.58 152.53 33.92 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.414 -179.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 13' ' ' TYR . 98.1 mt-10 -70.2 103.91 2.48 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.894 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 19.3 m -70.77 77.03 0.62 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.446 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.405 ' CZ ' ' HB3' ' A' ' 11' ' ' GLU . 16.2 m-30 -103.78 14.31 31.2 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.447 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' HG12 ' A' ' 17' ' ' VAL . 77.6 p -59.7 -42.38 92.88 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-O 120.981 0.419 . . . . 0.0 110.301 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.8 mt -68.13 -41.66 84.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -63.38 -43.25 98.15 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.928 -0.578 . . . . 0.0 112.087 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 14' ' ' SER . 8.4 p -63.76 -37.1 78.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -56.36 -44.89 80.57 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -60.98 -42.82 99.08 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.214 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.404 HG13 ' CE2' ' C' ' 697' ' ' TYR . 24.7 t -59.67 -40.79 83.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 123.506 0.504 . . . . 0.0 109.867 179.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' HA ' HG12 ' A' ' 24' ' ' VAL . 36.0 tp -59.1 -36.99 76.09 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.476 -178.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -65.79 -39.76 91.26 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 111.834 0.309 . . . . 0.0 111.834 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -75.13 -36.01 61.65 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.44 -178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 21' ' ' LEU . 4.2 p -79.33 -35.24 16.88 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.899 -178.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -169.78 92.13 0.53 Allowed Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 123.282 0.364 . . . . 0.0 110.606 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -57.55 -35.09 98.91 Favored 'Trans proline' 0 N--CA 1.505 2.198 0 C-N-CA 122.538 2.158 . . . . 0.0 113.006 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -63.6 -40.75 97.73 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.918 -178.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.2 p -78.2 140.81 38.94 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.221 0.326 . . . . 0.0 110.88 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.0 173.72 14.92 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.436 HG13 ' HB3' ' A' ' 34' ' ' ALA . 18.1 tt -134.05 139.58 48.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 120.675 0.274 . . . . 0.0 110.479 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.0 t -88.12 157.67 18.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.131 179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.9 p -59.48 -30.21 68.38 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 123.358 0.663 . . . . 0.0 110.256 -177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -67.93 -42.48 80.97 Favored 'General case' 0 C--N 1.348 0.51 0 C-N-CA 122.518 0.327 . . . . 0.0 110.646 177.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.436 ' HB3' HG13 ' A' ' 30' ' ' ILE . . . -63.79 -36.07 82.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.203 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.7 mtp -62.2 -42.45 99.3 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.052 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.9 -38.65 96.41 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 179.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 29.3 mm -63.03 -43.89 99.29 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.483 ' CE ' HG23 ' A' ' 148' ' ' THR . 96.7 mmm -64.82 -39.17 93.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.478 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -60.64 -41.94 95.96 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.048 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.5 m -64.4 -38.93 92.77 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.481 178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -61.07 -44.65 97.06 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.999 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -61.35 -44.19 98.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -63.87 -42.92 97.41 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.338 0.399 . . . . 0.0 111.104 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -64.18 -45.37 88.69 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.402 -179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.533 HG22 HD12 ' A' ' 49' ' ' ILE . 35.7 mm -64.16 -42.66 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.024 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.431 ' HD2' HD21 ' A' ' 140' ' ' LEU . 86.1 t80 -58.93 -46.31 88.27 Favored 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.357 0.41 . . . . 0.0 110.995 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -64.23 -42.42 96.56 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -178.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 58.5 ttm-85 -67.67 -48.23 67.23 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 123.217 0.323 . . . . 0.0 111.801 -178.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.533 HD12 HG22 ' A' ' 45' ' ' ILE . 97.4 mt -64.21 -43.63 97.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.4 -179.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.22 76.13 Favored 'General case' 0 C--O 1.234 0.241 0 O-C-N 123.438 0.461 . . . . 0.0 111.399 -178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.97 94.33 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -64.23 -42.53 96.52 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 -179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.93 -40.09 96.55 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.371 0.42 . . . . 0.0 110.573 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.4 m -60.78 -42.93 98.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.29 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -61.05 -42.26 98.15 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.364 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD13 ' HB ' ' A' ' 72' ' ' THR . 65.4 mt -62.99 -38.73 92.33 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.771 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.584 ' HB2' ' OE1' ' A' ' 69' ' ' GLU . . . -60.79 -38.96 87.08 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.466 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -63.98 -44.44 92.69 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.247 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -66.15 -38.15 87.41 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.25 179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -86.63 -1.76 57.94 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.173 -0.467 . . . . 0.0 112.105 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.6 mttt 55.64 32.75 19.88 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 120.805 0.336 . . . . 0.0 111.18 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.435 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 83.8 mtp180 -102.4 114.54 28.81 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.702 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 76.6 p -64.21 -42.12 96.74 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.312 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 15.2 m -93.42 125.75 38.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.022 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 82.2 mt -79.19 135.86 24.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.284 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 75.6 p -129.27 176.01 8.28 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.101 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 42.6 m -56.63 -34.86 67.67 Favored 'General case' 0 C--N 1.335 -0.064 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.735 -179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.6 -43.27 93.78 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 123.218 0.324 . . . . 0.0 110.63 -178.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.584 ' OE1' ' HB2' ' A' ' 57' ' ' ALA . 42.4 mt-10 -65.28 -40.58 94.05 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.288 0.367 . . . . 0.0 110.33 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.661 HD11 ' HB1' ' A' ' 136' ' ' ALA . 87.0 mt -65.33 -42.36 93.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.045 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' HG2' ' CZ ' ' A' ' 139' ' ' TYR . 66.4 mt-30 -55.47 -45.91 76.9 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.167 0.292 . . . . 0.0 111.226 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.422 ' HB ' HD13 ' A' ' 56' ' ' LEU . 9.8 m -62.86 -43.6 98.36 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.252 0.345 . . . . 0.0 110.506 179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.86 -39.39 93.47 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.836 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 70' ' ' ILE . 69.1 t -62.51 -45.21 99.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.399 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.41 -38.88 92.86 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.244 0.34 . . . . 0.0 111.53 -178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 60.9 mt -76.17 -33.74 59.33 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 71.5 mt -82.97 -36.87 24.75 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 78' ' ' LEU . 7.9 mp -97.53 153.53 38.3 Favored Pre-proline 0 CA--C 1.54 0.57 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -60.02 165.03 11.08 Favored 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.361 2.04 . . . . 0.0 111.385 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.76 -46.6 75.0 Favored Glycine 0 CA--C 1.533 1.172 0 CA-C-N 116.329 -0.396 . . . . 0.0 112.86 -178.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 tp10 -62.59 -46.29 89.0 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 116.785 0.292 . . . . 0.0 111.54 -179.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.4 mm? -64.71 -39.24 93.31 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.411 -179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -60.28 -42.09 94.72 Favored 'General case' 0 C--O 1.233 0.195 0 O-C-N 123.337 0.398 . . . . 0.0 111.589 -179.076 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -60.88 -46.97 88.52 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.272 0.357 . . . . 0.0 111.064 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -70.65 -35.39 72.85 Favored 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.413 0.446 . . . . 0.0 111.437 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.5 -39.2 83.03 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.151 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 83' ' ' ALA . 86.8 t -63.89 -41.88 93.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 O-C-N 123.33 0.394 . . . . 0.0 110.146 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.4 t -60.2 -44.79 94.83 Favored 'General case' 0 N--CA 1.432 -1.368 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 -178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -66.84 -46.19 75.85 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 123.078 0.551 . . . . 0.0 111.75 -176.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.53 -39.89 86.61 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.456 ' O ' HG23 ' A' ' 95' ' ' THR . 93.8 m -60.05 -45.32 93.22 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 -179.272 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -62.03 -39.12 91.22 Favored 'General case' 0 N--CA 1.462 0.147 0 O-C-N 123.453 0.471 . . . . 0.0 111.288 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.485 ' HB1' HG12 ' A' ' 138' ' ' VAL . . . -62.47 -44.52 96.19 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 123.202 0.314 . . . . 0.0 110.537 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.51 -46.12 90.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.897 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 91' ' ' THR . 43.9 p -60.41 -45.17 94.55 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.562 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -59.63 -37.82 79.67 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.994 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 28.9 t80 -60.29 -46.83 88.49 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.5 m -65.89 -40.29 91.44 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.421 0.451 . . . . 0.0 111.399 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.2 t -67.39 -32.56 73.55 Favored 'General case' 0 N--CA 1.436 -1.128 0 C-N-CA 125.152 1.381 . . . . 0.0 110.144 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 16.3 m -66.98 140.1 57.71 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 122.902 0.481 . . . . 0.0 110.6 -178.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -94.17 118.15 31.14 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.55 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 6.0 p 46.78 -89.37 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.377 0 O-C-N 123.49 0.493 . . . . 0.0 111.254 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.621 ' HB3' ' HG2' ' A' ' 109' ' ' ARG . . . 63.45 116.7 0.02 OUTLIER 'General case' 0 C--N 1.351 0.633 0 C-N-CA 122.971 0.508 . . . . 0.0 110.155 179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -66.79 -44.68 80.66 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.368 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 8.0 m -76.25 126.75 31.56 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.809 -179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 88.9 mtm-85 -67.26 -41.5 85.46 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.172 -179.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 78.2 p -62.17 -33.82 75.24 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.716 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.9 m -64.3 -39.19 93.41 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.375 0.422 . . . . 0.0 111.199 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.621 ' HG2' ' HB3' ' A' ' 103' ' ' ALA . 56.1 mtt180 -62.41 -35.18 78.42 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.563 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -92.63 -20.97 20.32 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.356 179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 64.12 29.25 74.39 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.559 HD12 HG11 ' A' ' 116' ' ' VAL . 67.7 mt -95.85 132.81 40.74 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 110.383 -0.228 . . . . 0.0 110.383 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -61.42 -42.09 98.19 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.282 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 -68.34 143.39 95.57 Favored Pre-proline 0 CA--C 1.544 0.742 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.674 -179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -69.22 91.98 0.46 Allowed 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 122.18 1.92 . . . . 0.0 111.879 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.85 HG12 ' CB ' ' A' ' 141' ' ' ALA . 19.2 m -63.2 -36.76 77.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.831 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.28 -40.93 86.1 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.279 -0.728 . . . . 0.0 111.279 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -63.63 -36.38 83.62 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.404 0.102 . . . . 0.0 110.888 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.423 HG13 ' CE2' ' A' ' 46' ' ' PHE . 60.6 t -60.97 -43.65 96.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -58.46 -44.9 89.42 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.458 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 60.9 ttp180 -66.96 -40.64 87.53 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.903 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 60.0 mt -61.35 -41.6 97.31 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.665 -178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 73.4 mt -61.17 -42.42 98.54 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.2 0.313 . . . . 0.0 110.967 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -63.36 -43.15 98.49 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.496 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.39 -38.46 91.12 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.384 0.427 . . . . 0.0 110.623 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -64.77 -7.07 26.94 Favored Glycine 0 CA--C 1.54 1.596 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.931 179.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 58.6 31.46 21.1 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.859 0.33 . . . . 0.0 111.493 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -64.11 -41.23 97.33 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.509 179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 88.2 p -153.45 163.35 40.1 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.691 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -64.99 -38.9 92.47 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 85.3 mtt85 -133.21 148.87 52.04 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.769 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 51.2 t -129.31 135.89 60.72 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.3 -179.91 52.95 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.458 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -95.33 -37.86 10.78 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 115.406 -0.397 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.68 -33.13 85.22 Favored Glycine 0 CA--C 1.532 1.107 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.815 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.781 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -63.35 -59.19 12.69 Favored Pre-proline 0 CA--C 1.545 0.76 0 CA-C-O 119.066 -0.493 . . . . 0.0 110.598 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.781 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 38.7 Cg_exo -54.63 -39.47 88.62 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 121.753 1.635 . . . . 0.0 111.335 178.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.485 HG12 ' HB1' ' A' ' 93' ' ' ALA . 93.9 t -63.85 -45.71 96.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.423 ' CZ ' ' HG2' ' A' ' 71' ' ' GLN . 42.7 t80 -60.04 -48.43 81.76 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.431 HD21 ' HD2' ' A' ' 46' ' ' PHE . 35.7 tp -63.35 -39.57 94.91 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.443 -179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.85 ' CB ' HG12 ' A' ' 116' ' ' VAL . . . -59.6 -40.56 87.86 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.644 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.7 87.7 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.954 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 86.9 t -62.84 -44.25 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.206 -179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.88 -40.63 96.05 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.834 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.91 -39.5 94.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.331 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -60.89 -46.65 89.79 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.415 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.81 -41.3 97.58 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.073 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.483 HG23 ' CE ' ' A' ' 38' ' ' MET . 11.2 m -59.81 -45.07 93.51 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.673 -179.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.47 ' HB2' ' CZ ' ' C' ' 697' ' ' TYR . . . -65.48 -41.08 93.67 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.676 -179.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -66.01 -42.12 90.11 Favored 'General case' 0 C--O 1.235 0.305 0 O-C-N 123.33 0.394 . . . . 0.0 111.349 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.1 mt -64.47 -42.81 96.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.13 -40.95 97.63 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.538 -178.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 49.2 tp10 -63.03 -46.21 88.65 Favored 'General case' 0 C--O 1.235 0.326 0 O-C-N 123.269 0.356 . . . . 0.0 110.257 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.435 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 76.0 mt -64.96 -40.54 95.16 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.343 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.477 ' HB1' HG23 ' A' ' 167' ' ' ILE . . . -61.74 -37.94 86.11 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.592 179.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.87 -39.33 97.26 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.058 -0.817 . . . . 0.0 111.058 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -62.0 -43.94 97.78 Favored 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 110.504 -0.184 . . . . 0.0 110.504 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.93 89.3 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.152 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.24 94.69 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.344 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -64.96 -37.61 88.23 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.556 179.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -64.9 -22.76 67.05 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.72 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -100.38 15.51 27.54 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.695 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt 59.62 38.09 22.21 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.112 0.482 . . . . 0.0 110.972 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -130.85 147.15 52.46 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.585 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 65.4 p -111.44 20.75 16.93 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.065 179.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -127.23 135.61 50.87 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.274 -0.269 . . . . 0.0 110.274 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.477 HG23 ' HB1' ' A' ' 155' ' ' ALA . 74.9 mt -90.8 126.26 43.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 21.2 pt -131.49 164.67 40.96 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.936 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -49.3 -35.33 34.51 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 122.208 1.939 . . . . 0.0 112.146 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -63.37 -40.96 98.7 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.404 0.44 . . . . 0.0 109.892 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -66.41 -40.07 89.36 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.62 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.6 -42.01 98.26 Favored 'General case' 0 C--O 1.23 0.041 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.621 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -61.54 -42.52 98.95 Favored 'General case' 0 CA--C 1.532 0.276 0 O-C-N 123.22 0.325 . . . . 0.0 110.366 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.02 -41.82 97.33 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.456 0.472 . . . . 0.0 111.349 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.435 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -61.13 -46.69 89.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.595 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 46.4 mm -67.72 -43.67 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.34 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 74.9 ttt-85 -62.77 -35.7 80.68 Favored 'General case' 0 CA--C 1.533 0.308 0 O-C-N 123.451 0.47 . . . . 0.0 110.951 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -82.4 -16.34 49.41 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.201 0.313 . . . . 0.0 111.734 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -98.49 117.69 33.49 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.07 -41.56 86.17 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.843 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.15 -49.26 70.54 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.575 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 34.9 mt -66.43 -38.55 87.68 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.163 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -59.86 -38.22 81.51 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -62.76 -45.38 92.94 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.251 -0.432 . . . . 0.0 109.968 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 35.9 tp -66.7 -41.6 87.74 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.72 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.62 20.55 10.61 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.147 -178.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.37 -33.69 71.92 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 90.5 mtm180 -96.3 3.56 52.93 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 111.819 0.303 . . . . 0.0 111.819 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 90.2 t -124.71 125.63 70.24 Favored 'Isoleucine or valine' 0 C--N 1.342 0.262 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.9 m -116.13 122.32 44.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.507 178.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 42.9 mm -63.52 -44.99 98.94 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.976 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -66.41 -20.1 65.97 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.08 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 58.56 96.23 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.43 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.763 0 CA-C-O 117.999 -1.445 . . . . 0.0 110.866 -179.849 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 13.3 ttp . . . . . 0 N--CA 1.49 1.528 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -124.13 143.48 50.46 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.663 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.5 HD12 HD12 ' B' ' 67' ' ' LEU . 41.4 pt -134.09 161.52 40.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.92 179.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -116.82 141.96 47.54 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -116.53 128.22 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -112.16 152.78 27.93 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.234 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 69.1 p -123.23 163.5 20.55 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.516 -179.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 93.8 mt -66.85 -21.51 66.02 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.4 p -70.0 -23.06 63.08 Favored 'General case' 0 N--CA 1.441 -0.901 0 O-C-N 120.515 -1.365 . . . . 0.0 111.214 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 104.96 14.64 22.39 Favored Glycine 0 C--N 1.356 1.656 0 O-C-N 121.281 -0.887 . . . . 0.0 112.691 -173.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -94.47 150.86 19.85 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 117.13 0.465 . . . . 0.0 110.243 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.7 m -136.55 130.47 32.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.24 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.598 HD12 ' CD ' ' B' ' 33' ' ' LYS . 48.4 pt -126.73 135.35 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.491 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -82.73 140.44 33.06 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.417 HD11 ' HD3' ' B' ' 29' ' ' LYS . 19.8 tp -141.63 132.22 25.48 Favored 'General case' 0 C--N 1.347 0.498 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.739 -179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -104.77 118.56 36.86 Favored 'General case' 0 C--N 1.33 -0.248 0 O-C-N 123.518 0.511 . . . . 0.0 110.053 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.5 m -140.83 162.56 22.75 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.234 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.19 152.45 38.63 Favored Pre-proline 0 CA--C 1.545 0.754 0 O-C-N 123.258 0.349 . . . . 0.0 110.505 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_exo -54.83 -33.25 80.71 Favored 'Trans proline' 0 N--CA 1.501 1.944 0 C-N-CA 122.291 1.994 . . . . 0.0 112.529 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 78.1 p -76.34 -15.92 59.86 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -65.92 142.05 58.02 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.608 0.242 . . . . 0.0 110.544 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 69.0 p -80.36 156.8 26.54 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.978 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 31.8 mm -63.73 -42.06 94.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.507 179.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -55.97 -39.63 72.07 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.23 0.331 . . . . 0.0 110.119 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -62.63 -40.3 96.56 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.108 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.0 t -61.12 -43.51 96.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -59.6 -38.14 80.45 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -38.28 86.39 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.422 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.417 ' HD3' HD11 ' B' ' 15' ' ' LEU . 63.6 mttp -62.64 -40.35 96.72 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.87 -0.418 . . . . 0.0 109.87 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.469 HG22 HE22 ' B' ' 41' ' ' GLN . 81.4 mt -63.46 -41.44 92.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -54.98 -37.59 66.73 Favored 'General case' 0 C--O 1.222 -0.383 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.39 -35.62 79.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.602 179.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.598 ' CD ' HD12 ' B' ' 13' ' ' ILE . 63.4 mttp -77.98 -44.45 26.66 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.951 1.093 . . . . 0.0 113.951 -178.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -92.49 -39.8 11.19 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 128.257 2.623 . . . . 0.0 115.884 179.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 30.65 38.0 Favored Glycine 0 C--N 1.353 1.472 0 C-N-CA 126.4 1.952 . . . . 0.0 111.966 -169.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 63.8 mt -104.2 138.28 19.48 Favored Pre-proline 0 CA--C 1.546 0.798 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.63 131.26 43.21 Favored 'Trans proline' 0 N--CA 1.499 1.836 0 C-N-CA 122.045 1.83 . . . . 0.0 111.987 179.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -57.58 -28.81 82.78 Favored 'Trans proline' 0 N--CA 1.504 2.093 0 C-N-CA 122.287 1.992 . . . . 0.0 112.72 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.12 -38.58 91.12 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 108.337 -0.986 . . . . 0.0 108.337 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -85.07 8.44 17.97 Favored 'General case' 0 C--N 1.351 0.64 0 O-C-N 122.315 -0.241 . . . . 0.0 111.303 -172.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.469 HE22 HG22 ' B' ' 30' ' ' ILE . 86.4 mt-30 -114.66 134.95 54.67 Favored 'General case' 0 C--N 1.345 0.397 0 CA-C-O 120.589 0.233 . . . . 0.0 111.526 -178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.434 HH21 HD13 ' C' ' 676' ' ' LEU . 14.8 mtp85 -115.6 136.91 52.6 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.819 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.24 134.37 52.88 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.62 HD11 HD12 ' C' ' 676' ' ' LEU . 96.0 mt -126.2 133.45 68.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.997 -178.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -125.95 129.01 48.41 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 59.63 28.89 18.41 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.562 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.18 14.9 81.46 Favored Glycine 0 CA--C 1.533 1.171 0 N-CA-C 111.627 -0.589 . . . . 0.0 111.627 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 22.5 ttpt -115.31 135.18 54.41 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.06 149.31 41.42 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.318 0.386 . . . . 0.0 110.341 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.6 mt -112.41 153.83 26.72 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.163 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.7 tp10 -106.41 131.07 54.04 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.94 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -63.11 -34.85 78.5 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.845 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -69.04 -20.92 75.21 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.137 -0.483 . . . . 0.0 113.164 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -90.61 158.98 16.67 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 117.16 0.48 . . . . 0.0 111.092 -179.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 21.5 p -94.34 166.71 11.95 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.708 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.87 -41.57 98.02 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.407 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.2 p -61.24 -28.52 69.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.415 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -60.09 -35.05 74.35 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.583 -0.28 . . . . 0.0 111.092 -179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -92.54 12.8 21.78 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.796 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 56.78 36.6 27.92 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 120.928 0.395 . . . . 0.0 110.995 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.7 mt -75.02 127.65 36.72 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -103.52 -176.46 3.09 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.73 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.06 147.35 53.64 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.106 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 56.82 78.15 0.23 Allowed 'General case' 0 C--O 1.239 0.52 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.196 -179.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 24.4 p -124.58 154.72 40.23 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.435 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.5 m -111.23 124.47 52.28 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.345 0.403 . . . . 0.0 110.708 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.5 HD12 HD12 ' B' ' 3' ' ' ILE . 93.6 mt -116.7 126.22 52.86 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.039 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -87.67 148.41 24.8 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.223 -0.444 . . . . 0.0 109.965 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 25.6 tp -110.99 128.84 55.98 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.177 0.513 . . . . 0.0 111.928 -177.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.768 HG22 ' HB1' ' C' ' 673' ' ' ALA . 33.1 t -128.56 161.39 37.45 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.273 0 CA-C-N 115.155 -0.929 . . . . 0.0 108.576 178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.47 ' N ' HG12 ' B' ' 70' ' ' VAL . 14.5 tp -105.88 121.42 44.03 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 121.032 -0.267 . . . . 0.0 111.663 -178.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -86.35 134.67 33.71 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.525 HD13 ' HD2' ' C' ' 684' ' ' ARG . 73.5 mt -111.46 65.15 0.62 Allowed 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.055 0.455 . . . . 0.0 111.115 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -140.41 149.15 42.26 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.706 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.73 134.69 11.79 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.876 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.87 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.616 -1.394 . . . . 0.0 109.616 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -60.34 -40.71 91.67 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.57 0.224 . . . . 0.0 110.707 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 77.0 mtm -84.91 151.46 24.24 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.61 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -158.92 -62.18 0.02 OUTLIER Pre-proline 0 CA--C 1.547 0.843 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.092 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -70.51 -16.79 34.42 Favored 'Trans proline' 0 N--CA 1.504 2.102 0 C-N-CA 122.229 1.953 . . . . 0.0 112.861 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.485 HG12 ' CE ' ' C' ' 659' ' ' MET . 50.5 t -61.79 -43.71 97.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.509 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 26.6 mt -60.84 -42.44 97.77 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.33 0.394 . . . . 0.0 110.774 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -66.39 -39.39 89.02 Favored 'General case' 0 C--O 1.236 0.352 0 O-C-N 123.234 0.334 . . . . 0.0 110.791 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -69.0 -39.29 79.42 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.042 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.509 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 74.6 mtm -64.09 -39.62 94.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.816 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -62.96 -43.91 97.5 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.348 0.405 . . . . 0.0 110.63 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -64.54 -43.4 94.09 Favored 'General case' 0 C--O 1.234 0.238 0 O-C-N 123.38 0.425 . . . . 0.0 111.026 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.5 -41.14 96.61 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.278 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.66 -41.8 99.26 Favored 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.316 0.385 . . . . 0.0 111.2 -179.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.93 -42.27 94.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.973 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -70.68 -38.32 73.71 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.073 179.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 75.2 tt0 -64.59 -46.01 84.51 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.45 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.36 -33.9 71.98 Favored 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.481 0.488 . . . . 0.0 111.266 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -60.25 -46.42 89.85 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.41 -40.53 95.95 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.948 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -63.5 -37.77 88.59 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 123.408 0.443 . . . . 0.0 110.954 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -63.04 -46.55 87.02 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.488 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -65.86 -41.21 91.94 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 178.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.768 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -60.54 -38.32 84.09 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.048 179.299 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 28.5 tp -61.69 -37.97 86.11 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.558 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -62.01 -43.66 98.38 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.62 HD12 HD11 ' B' ' 44' ' ' ILE . 91.0 mt -64.6 -43.05 95.02 Favored 'General case' 0 C--N 1.341 0.234 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 -60.77 -40.73 93.63 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.145 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -67.71 -44.93 76.51 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.654 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 65.7 mtm -64.89 -43.97 91.13 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.381 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.481 ' C ' HD12 ' B' ' 73' ' ' LEU . 30.4 m-85 -64.56 -39.73 94.28 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.516 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -64.98 -34.46 78.49 Favored 'General case' 0 CA--C 1.528 0.114 0 O-C-N 123.415 0.447 . . . . 0.0 110.259 178.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.62 -39.38 94.23 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.277 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -51.59 -33.18 31.58 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.536 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.525 ' HD2' HD13 ' B' ' 73' ' ' LEU . 70.3 mtp180 -63.18 -37.96 89.27 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.708 179.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 60.76 41.89 14.21 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.114 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 31.9 m -123.56 130.08 52.15 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.106 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 50.4 t -62.04 136.55 25.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.835 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 24.9 p -134.66 157.28 47.04 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.827 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -136.59 98.41 3.8 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.323 179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 92.0 mtm-85 57.76 107.84 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.626 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.38 -41.08 96.52 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.336 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -74.45 172.65 52.14 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.584 -1.006 . . . . 0.0 110.584 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 88.3 p -138.4 147.49 43.43 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 110.498 -0.186 . . . . 0.0 110.498 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . 0.4 HG13 ' N ' ' C' ' 695' ' ' ASP . 11.2 p -64.16 -41.7 93.26 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.985 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . 0.4 ' N ' HG13 ' C' ' 694' ' ' VAL . 82.9 m-20 -97.77 109.89 22.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.857 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -65.05 -41.56 95.07 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.352 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 149' ' ' ALA . 0.1 OUTLIER -132.87 152.21 51.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.109 179.559 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 18.2 tp -90.74 120.8 32.08 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.653 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 6.2 mp -121.21 163.07 19.08 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.414 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -62.72 -38.6 91.13 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.543 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 33.3 t -63.11 145.86 54.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.541 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 70.9 m -130.23 152.2 49.91 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.748 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -93.3 4.27 54.26 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.24 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 97.2 mtp 50.26 92.92 0.02 OUTLIER 'General case' 0 C--N 1.345 0.376 0 CA-C-O 120.808 0.337 . . . . 0.0 110.774 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -65.95 -40.59 91.46 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.709 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -135.41 140.2 11.45 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.68 97.5 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.568 0.223 . . . . 0.0 110.694 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 82.1 tttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.442 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 tttt -76.14 114.86 15.27 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -71.45 -19.0 62.28 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t 70.14 83.04 0.15 Allowed 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.028 0.442 . . . . 0.0 110.891 179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -109.17 6.8 25.11 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.436 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 17' ' ' VAL . 42.2 m -60.89 -42.7 98.5 Favored 'General case' 0 C--N 1.344 0.345 0 CA-C-O 121.043 0.449 . . . . 0.0 110.855 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.31 -42.48 90.82 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.723 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -63.23 -43.97 96.58 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.911 -0.586 . . . . 0.0 112.133 -178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.53 HG23 ' CG2' ' A' ' 148' ' ' THR . 8.9 p -64.02 -36.36 76.59 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -55.9 -43.32 77.16 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.54 -42.03 98.22 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.989 179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG22 ' OH ' ' C' ' 697' ' ' TYR . 40.5 t -62.76 -41.93 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.176 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' HA ' HG12 ' A' ' 24' ' ' VAL . 48.9 tp -59.77 -37.76 79.92 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.979 -178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -64.24 -38.73 92.09 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.615 -179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -76.18 -35.82 58.97 Favored 'General case' 0 N--CA 1.489 1.509 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.172 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.7 p -78.7 -28.4 14.19 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.683 -178.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.7 92.08 0.2 Allowed Pre-proline 0 CA--C 1.553 1.074 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.505 -179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -57.78 -34.98 98.96 Favored 'Trans proline' 0 N--CA 1.505 2.192 0 C-N-CA 122.64 2.226 . . . . 0.0 113.108 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -59.72 -45.94 90.63 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.29 0.478 . . . . 0.0 112.29 -178.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.5 p -80.04 132.7 36.04 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 123.141 0.275 . . . . 0.0 110.603 -179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.09 177.43 18.16 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.3 tt -134.03 142.02 42.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 CA-C-O 120.802 0.334 . . . . 0.0 110.324 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.7 p -78.95 162.21 26.14 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.445 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -62.22 -40.22 95.41 Favored 'General case' 0 N--CA 1.435 -1.218 0 C-N-CA 123.71 0.804 . . . . 0.0 109.632 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 69.2 mttm -65.67 -41.96 91.87 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.679 1.191 . . . . 0.0 110.557 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.65 -36.0 82.39 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.937 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.3 mtp -62.83 -41.56 99.38 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.444 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.16 -38.43 95.59 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 91.6 mt -63.79 -41.51 92.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.532 ' CE ' HG23 ' A' ' 148' ' ' THR . 93.6 mmm -61.17 -36.27 79.37 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.212 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -60.2 -43.22 96.12 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.1 m -69.03 -33.22 73.27 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.163 178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CZ ' HD11 ' A' ' 151' ' ' ILE . 86.6 t80 -62.26 -45.96 90.97 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.075 179.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.3 -45.62 82.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.431 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -63.24 -42.37 99.21 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.887 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -60.11 -47.85 84.19 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.337 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.486 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 96.6 mt -68.08 -36.3 74.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 O-C-N 123.566 0.541 . . . . 0.0 109.854 179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -55.51 -47.03 76.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.472 -178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -67.72 -40.69 84.21 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.414 0.446 . . . . 0.0 111.623 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -63.17 -48.4 78.58 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.349 0.406 . . . . 0.0 111.691 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.449 HD12 HG22 ' A' ' 45' ' ' ILE . 96.8 mt -65.68 -42.74 93.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.84 -45.41 82.41 Favored 'General case' 0 C--O 1.232 0.15 0 O-C-N 123.403 0.439 . . . . 0.0 111.4 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.19 -45.4 91.56 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.724 -0.551 . . . . 0.0 111.724 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -64.18 -41.7 96.99 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 120.451 0.167 . . . . 0.0 110.752 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.14 -40.9 97.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.528 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 14.8 m -62.65 -41.09 98.85 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.439 179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.57 -41.1 93.95 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.442 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.1 mt -62.02 -39.89 93.83 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.636 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.95 93.05 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.473 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -65.92 -43.39 88.27 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.37 179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -63.08 -40.74 98.55 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.401 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -91.08 2.98 55.91 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 116.133 -0.485 . . . . 0.0 112.155 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 52.9 33.67 14.99 Favored 'General case' 0 C--O 1.238 0.473 0 CA-C-O 120.813 0.339 . . . . 0.0 111.308 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -88.75 111.94 22.58 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.453 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 15.6 m -62.37 -36.49 82.43 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.347 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.5 m -108.99 127.94 54.52 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.6 mt -83.67 135.89 23.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 178.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 35.5 p -129.7 -178.92 4.9 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.16 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.5 p -56.02 -32.7 64.24 Favored 'General case' 0 CA--C 1.528 0.097 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.803 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -61.74 -44.22 97.34 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.41 -46.83 81.59 Favored 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.25 0.344 . . . . 0.0 110.678 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.598 HD11 ' HB1' ' A' ' 136' ' ' ALA . 91.7 mt -63.88 -41.92 94.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.937 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -55.55 -43.34 75.76 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.739 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.5 m -62.25 -45.52 92.96 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.313 0.383 . . . . 0.0 110.129 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.18 90.12 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.452 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 70' ' ' ILE . 73.4 t -62.14 -45.15 99.39 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.487 -179.567 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.6 -37.96 89.38 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.17 0.294 . . . . 0.0 111.644 -178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.1 mt -70.91 -32.2 69.06 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 68.2 mt -89.68 -36.05 15.45 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.739 0.644 . . . . 0.0 112.739 -178.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.1 mp -91.54 139.18 25.05 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -53.06 -177.53 0.03 OUTLIER 'Trans proline' 0 N--CA 1.502 1.989 0 C-N-CA 122.376 2.05 . . . . 0.0 111.71 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.26 -49.59 60.74 Favored Glycine 0 CA--C 1.531 1.086 0 CA-C-N 116.479 -0.328 . . . . 0.0 113.052 -178.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -67.03 -42.72 84.38 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.7 0.259 . . . . 0.0 111.7 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -63.87 -39.21 93.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.268 -179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.512 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.13 -39.74 95.57 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.441 0.463 . . . . 0.0 111.656 -179.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.96 -47.68 84.82 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.128 0.267 . . . . 0.0 110.937 -178.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -70.19 -35.66 74.09 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.333 0.395 . . . . 0.0 111.347 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.36 -38.48 83.98 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -179.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 83' ' ' ALA . 95.7 t -62.35 -42.38 95.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.199 -179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -61.65 -43.9 97.98 Favored 'General case' 0 N--CA 1.429 -1.519 0 C-N-CA 123.069 0.547 . . . . 0.0 109.683 -178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.653 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 2.6 mm-40 -67.31 -45.02 77.71 Favored 'General case' 0 C--N 1.345 0.384 0 C-N-CA 124.686 1.194 . . . . 0.0 111.695 -178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.26 -47.77 50.14 Favored Glycine 0 CA--C 1.531 1.089 0 C-N-CA 121.425 -0.417 . . . . 0.0 112.19 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -64.58 -46.07 84.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.558 0.218 . . . . 0.0 111.036 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -62.96 -35.81 81.37 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.757 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.99 94.74 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.272 0.357 . . . . 0.0 110.107 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.62 -46.04 95.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.5 m -63.78 -42.66 97.72 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.536 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -61.92 -37.51 84.94 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.083 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -60.31 -48.11 83.14 Favored 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 19.0 m -67.41 -40.21 85.57 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.137 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 71.9 m -75.63 -14.5 60.37 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.55 1.54 . . . . 0.0 111.415 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 55.1 p -57.94 -45.09 87.16 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 123.291 0.636 . . . . 0.0 110.898 -178.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 61.87 -77.33 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.613 0.571 . . . . 0.0 110.526 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.5 p -65.75 -179.73 0.73 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.53 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.567 ' HB1' ' OG ' ' A' ' 108' ' ' SER . . . 66.9 133.05 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.909 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -97.96 -18.37 18.67 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.348 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 15.1 m -76.5 139.0 40.61 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.485 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -64.51 -43.4 94.2 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.324 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.6 m -65.18 -42.01 94.04 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.158 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.567 ' OG ' ' HB1' ' A' ' 103' ' ' ALA . 76.8 p -61.98 -42.18 98.85 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.249 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -68.06 -35.83 78.86 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.076 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.539 ' HB1' HD13 ' A' ' 112' ' ' LEU . . . -69.7 -36.55 76.04 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.105 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.03 22.63 57.16 Favored Glycine 0 CA--C 1.534 1.248 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.539 HD13 ' HB1' ' A' ' 110' ' ' ALA . 7.4 mp -108.17 135.11 50.06 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -59.62 -44.01 93.6 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.261 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -63.06 130.14 93.92 Favored Pre-proline 0 CA--C 1.546 0.815 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.361 -179.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.439 ' O ' HG23 ' A' ' 119' ' ' VAL . 36.0 Cg_exo -57.67 108.3 0.37 Allowed 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 122.219 1.946 . . . . 0.0 111.822 -179.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.582 HG11 HG22 ' A' ' 138' ' ' VAL . 92.2 t -63.57 -43.27 98.18 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.32 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.05 -38.53 95.69 Favored Glycine 0 CA--C 1.529 0.906 0 N-CA-C 111.676 -0.569 . . . . 0.0 111.676 -178.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -66.35 -38.6 87.99 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.326 0.108 . . . . 0.0 111.222 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 115' ' ' PRO . 87.4 t -59.49 -43.66 91.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -57.67 -43.21 84.88 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.373 0.42 . . . . 0.0 110.326 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -67.3 -39.45 85.94 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.014 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.21 -43.21 99.24 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.576 -178.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 71.0 mt -62.65 -44.64 95.77 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.254 0.346 . . . . 0.0 110.821 -179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -66.35 -30.27 70.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.939 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -61.5 -36.89 81.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.328 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -74.42 5.85 26.36 Favored Glycine 0 CA--C 1.541 1.669 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 11.0 p30 42.93 30.06 0.22 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 117.227 0.513 . . . . 0.0 111.85 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -61.92 -43.67 98.37 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.504 179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 95.7 p -136.52 160.88 37.44 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.71 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -66.18 -37.89 86.72 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.853 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 61.9 ttm-85 -137.67 147.04 44.55 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.536 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 60.3 t -126.4 136.7 60.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 179.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -79.01 173.29 55.37 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.602 -0.599 . . . . 0.0 111.602 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.529 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -89.33 -34.73 16.44 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.415 -0.392 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.98 -36.23 92.83 Favored Glycine 0 CA--C 1.528 0.872 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.772 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -58.6 -59.55 13.23 Favored Pre-proline 0 CA--C 1.546 0.79 0 CA-C-O 119.031 -0.509 . . . . 0.0 110.542 -179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.772 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 48.6 Cg_exo -53.78 -38.48 85.26 Favored 'Trans proline' 0 N--CA 1.5 1.876 0 C-N-CA 121.792 1.661 . . . . 0.0 111.414 178.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.582 HG22 HG11 ' A' ' 116' ' ' VAL . 85.3 t -62.74 -45.46 98.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -61.21 -46.09 91.88 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.137 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 32.2 tp -62.25 -42.25 99.16 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.481 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.32 83.87 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.937 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.653 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -65.23 -41.42 94.4 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.846 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 92.0 t -65.11 -45.93 92.68 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.162 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.64 -40.17 96.2 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.093 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -64.11 -41.22 97.35 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.553 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 69.7 t80 -62.06 -45.07 95.15 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.434 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 68.4 mt -61.22 -40.71 95.0 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.764 -179.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.532 HG23 ' CE ' ' A' ' 38' ' ' MET . 17.3 m -63.09 -45.91 89.86 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 123.389 0.431 . . . . 0.0 110.849 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.36 -38.48 84.87 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.816 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -63.5 -41.97 98.52 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.527 -178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.54 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 92.0 mt -63.22 -43.58 98.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.451 HD22 HD13 ' A' ' 21' ' ' LEU . 85.8 mt -61.87 -39.21 91.11 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.458 0.473 . . . . 0.0 111.048 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.437 ' HG3' HG21 ' A' ' 24' ' ' VAL . 93.4 mt-10 -61.46 -48.05 82.9 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.125 0.265 . . . . 0.0 110.601 -179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.454 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 34.9 mt -65.22 -41.69 94.19 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.398 179.514 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.465 ' HB2' HD23 ' A' ' 172' ' ' LEU . . . -60.93 -37.58 82.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.375 179.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.8 -43.22 99.52 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -61.85 -44.27 97.17 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.89 88.47 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.39 0.432 . . . . 0.0 109.95 179.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.694 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -58.25 -46.83 85.24 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.269 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -62.98 -38.39 90.93 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.226 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -64.13 -30.53 71.59 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.586 179.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -92.44 12.58 22.3 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.699 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.45 35.81 26.32 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.975 0.417 . . . . 0.0 111.198 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.694 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 98.7 mttt -137.77 117.0 12.64 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.57 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 4.5 m -66.53 -45.2 80.24 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -61.91 154.26 26.75 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.322 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 66.4 mt -109.93 131.14 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 19.0 pt -127.78 165.72 28.25 Favored Pre-proline 0 CA--C 1.544 0.725 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.283 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.97 -36.74 54.63 Favored 'Trans proline' 0 N--CA 1.501 1.956 0 C-N-CA 122.288 1.992 . . . . 0.0 112.234 -179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -61.53 -40.0 93.09 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.424 0.453 . . . . 0.0 109.87 179.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 40.2 m170 -67.25 -43.75 81.15 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.553 179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.465 HD23 ' HB2' ' A' ' 155' ' ' ALA . 70.8 mt -62.49 -43.6 98.42 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.013 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . 0.455 HE22 ' HB2' ' A' ' 192' ' ' ALA . 51.1 tt0 -66.96 -38.99 87.11 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.246 0.341 . . . . 0.0 110.679 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.412 HD23 ' C ' ' A' ' 174' ' ' LEU . 9.7 tt -61.85 -45.16 95.02 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.041 -179.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.454 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -67.99 -41.82 81.71 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.272 0.358 . . . . 0.0 111.693 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 87.5 mt -63.74 -44.17 98.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.374 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.406 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -65.85 -34.27 77.76 Favored 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.373 0.421 . . . . 0.0 111.516 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -77.16 -16.48 59.11 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 123.24 0.337 . . . . 0.0 111.814 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -102.67 113.79 27.48 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -62.97 -40.44 97.71 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.465 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -60.82 -48.09 83.38 Favored 'General case' 0 C--O 1.241 0.633 0 O-C-N 123.386 0.429 . . . . 0.0 111.312 -179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 34.6 mt -63.86 -35.37 80.42 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.905 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -59.24 -38.2 79.44 Favored 'General case' 0 CA--C 1.532 0.255 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -62.18 -45.6 92.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 123.261 0.351 . . . . 0.0 110.577 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.7 tp -67.8 -40.51 83.88 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.404 HD21 ' HE1' ' A' ' 41' ' ' PHE . 86.4 mt -98.07 21.44 10.76 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 115.946 -0.57 . . . . 0.0 112.267 -178.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -56.2 -37.82 74.44 Favored Glycine 0 CA--C 1.528 0.846 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 90.1 mtm180 -103.44 28.49 6.4 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 120.463 0.173 . . . . 0.0 111.461 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 75.2 t -125.34 130.6 72.87 Favored 'Isoleucine or valine' 0 C--O 1.233 0.211 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 9.2 t -122.88 130.78 53.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.655 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 69.1 mt -109.54 -28.77 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.192 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . 0.455 ' HB2' HE22 ' A' ' 173' ' ' GLN . . . -56.87 178.58 0.06 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.588 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 57.49 90.32 0.04 OUTLIER 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.246 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 117.957 -1.469 . . . . 0.0 110.91 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptt? . . . . . 0 N--CA 1.495 1.822 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -104.21 128.65 51.96 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.886 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 41.2 pt -135.52 147.06 28.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 O-C-N 123.686 0.616 . . . . 0.0 109.942 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -108.51 141.91 39.69 Favored 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.0 t -122.85 128.64 75.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -115.66 153.72 30.8 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.2 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.9 p -124.24 161.48 25.69 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.384 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 45.4 mt -60.71 -20.11 60.36 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.796 179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 47.7 p -69.67 -22.6 63.43 Favored 'General case' 0 N--CA 1.441 -0.893 0 O-C-N 119.087 -2.258 . . . . 0.0 111.567 176.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.12 11.1 34.98 Favored Glycine 0 C--N 1.357 1.75 0 O-C-N 120.971 -1.08 . . . . 0.0 112.545 -173.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -92.24 151.84 20.14 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 117.215 0.507 . . . . 0.0 110.071 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -135.08 129.65 34.31 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.316 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.42 HD12 ' HD2' ' B' ' 33' ' ' LYS . 47.9 pt -124.98 137.11 58.65 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.198 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.412 HG22 ' H ' ' B' ' 14' ' ' THR . 4.9 t -88.72 119.91 29.64 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.42 0.688 . . . . 0.0 110.618 -177.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.02 132.53 49.11 Favored 'General case' 0 C--N 1.356 0.879 0 O-C-N 121.684 -0.635 . . . . 0.0 111.031 -174.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -110.82 114.96 28.7 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.905 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.1 m -138.11 159.67 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.316 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -91.76 151.26 42.08 Favored Pre-proline 0 CA--C 1.541 0.625 0 O-C-N 123.29 0.368 . . . . 0.0 110.666 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -56.1 -39.74 89.28 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 C-N-CA 122.234 1.956 . . . . 0.0 112.53 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.3 m -64.77 -20.76 66.55 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -63.13 142.36 58.41 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 120.583 0.23 . . . . 0.0 110.627 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 13.6 p -81.2 161.15 24.12 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.06 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.4 mm -64.49 -42.07 94.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.601 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.7 tt0 -55.44 -39.79 70.74 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.255 0.347 . . . . 0.0 110.133 -179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 55.4 t-20 -63.16 -39.29 94.22 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.043 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 57.6 t -60.72 -42.8 93.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.22 -38.24 79.47 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.4 93.09 Favored 'General case' 0 C--O 1.237 0.405 0 O-C-N 123.435 0.459 . . . . 0.0 110.202 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -64.6 -40.29 95.24 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 88.8 mt -62.56 -41.68 92.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -55.74 -37.7 68.82 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -66.39 -36.9 84.02 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.251 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.42 ' HD2' HD12 ' B' ' 13' ' ' ILE . 98.5 mttt -88.36 -31.91 18.66 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -177.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -95.22 -43.08 8.23 Favored 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 126.493 1.917 . . . . 0.0 114.831 176.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.18 23.25 49.25 Favored Glycine 0 C--N 1.356 1.666 0 C-N-CA 124.68 1.133 . . . . 0.0 112.072 -170.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 74.0 mt -101.71 137.92 19.7 Favored Pre-proline 0 CA--C 1.547 0.863 0 CA-C-O 119.19 -0.433 . . . . 0.0 109.984 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -59.74 131.45 40.0 Favored 'Trans proline' 0 N--CA 1.499 1.8 0 C-N-CA 121.987 1.791 . . . . 0.0 111.941 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -61.66 -25.6 79.22 Favored 'Trans proline' 0 N--CA 1.502 2.029 0 C-N-CA 122.356 2.037 . . . . 0.0 112.737 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -63.89 -36.27 83.37 Favored 'General case' 0 N--CA 1.43 -1.451 0 C-N-CA 117.992 -1.483 . . . . 0.0 108.804 -178.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 12.4 mp0 -91.15 10.69 25.95 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 120.565 -0.454 . . . . 0.0 111.636 -174.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -97.95 131.99 43.91 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.74 0.305 . . . . 0.0 111.331 -179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.432 HH21 HD13 ' C' ' 676' ' ' LEU . 32.3 mtp85 -119.0 124.39 46.88 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.563 178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.437 ' HB3' HD12 ' B' ' 50' ' ' LEU . 55.0 mt -105.4 134.58 48.29 Favored 'General case' 0 N--CA 1.464 0.271 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 179.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.583 HD11 HD12 ' C' ' 676' ' ' LEU . 95.6 mt -129.07 133.9 65.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 O-C-N 123.437 0.46 . . . . 0.0 110.923 -178.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.417 ' HD1' HD23 ' B' ' 67' ' ' LEU . 80.5 t80 -123.68 132.61 53.88 Favored 'General case' 0 N--CA 1.463 0.205 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 178.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.87 16.79 3.83 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.552 -178.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.01 17.08 61.88 Favored Glycine 0 CA--C 1.539 1.559 0 CA-C-O 119.931 -0.372 . . . . 0.0 112.676 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -115.78 138.85 50.73 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 117.297 0.548 . . . . 0.0 109.68 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -58.45 151.83 19.24 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.114 0.259 . . . . 0.0 110.481 178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.437 HD12 ' HB3' ' B' ' 43' ' ' LEU . 91.5 mt -118.76 129.14 55.09 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.014 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -77.51 134.37 38.33 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.829 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.84 -37.54 87.98 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.807 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.26 12.79 24.12 Favored Glycine 0 CA--C 1.536 1.348 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.322 -178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -112.11 157.31 20.96 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 117.413 0.607 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 78.9 p -94.75 161.54 14.13 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.817 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 73.8 mt -62.51 -42.43 99.51 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.239 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 96.3 p -60.05 -30.5 69.24 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.429 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -62.52 -26.29 68.48 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.186 0.304 . . . . 0.0 111.161 -179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -92.71 10.49 30.47 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.676 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 22.8 m120 55.52 36.79 27.87 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-O 121.002 0.43 . . . . 0.0 110.879 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 75.5 mt -84.13 129.4 37.66 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -96.88 -175.38 3.25 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.503 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.01 149.33 47.66 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.809 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 26.1 mp0 53.06 87.05 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 120.922 0.392 . . . . 0.0 110.331 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 88.1 p -129.91 153.4 48.37 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.319 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 23.6 m -108.01 120.28 41.84 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.375 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.417 HD23 ' HD1' ' B' ' 45' ' ' PHE . 43.3 mt -119.33 127.33 53.09 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.864 179.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -89.72 150.58 22.25 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.624 0.578 . . . . 0.0 110.248 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 28.5 tp -114.94 134.05 55.49 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 112.008 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.545 HG22 ' HB1' ' C' ' 673' ' ' ALA . 19.3 t -128.02 163.44 31.91 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 178.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.481 ' N ' HG12 ' B' ' 70' ' ' VAL . 12.5 tp -112.35 118.04 34.12 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -80.2 137.52 36.69 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.591 HD13 ' HD2' ' C' ' 684' ' ' ARG . 78.5 mt -104.69 168.31 9.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.015 -179.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 62.33 136.48 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.372 0.42 . . . . 0.0 110.431 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.15 165.66 40.12 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.709 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.295 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -60.99 -45.2 95.8 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 110.43 -0.211 . . . . 0.0 110.43 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 60.4 ttp -120.19 147.65 44.65 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.442 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -175.64 -59.76 0.0 OUTLIER Pre-proline 0 CA--C 1.546 0.799 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.166 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.1 -25.92 58.12 Favored 'Trans proline' 0 N--CA 1.502 1.992 0 C-N-CA 122.23 1.954 . . . . 0.0 112.848 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.444 HG12 ' CE ' ' C' ' 659' ' ' MET . 49.2 t -65.1 -42.25 93.95 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.457 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 32.4 mt -60.82 -43.34 98.36 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.991 -179.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -64.57 -40.87 96.33 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 123.186 0.304 . . . . 0.0 110.506 179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.8 -39.63 84.0 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.457 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 74.9 mtm -64.98 -39.03 92.86 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.732 -179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -61.12 -43.87 98.21 Favored 'General case' 0 C--O 1.233 0.226 0 O-C-N 123.276 0.36 . . . . 0.0 110.636 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -65.46 -43.05 91.53 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.395 0.435 . . . . 0.0 110.96 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -64.57 -41.14 96.48 Favored 'General case' 0 N--CA 1.465 0.313 0 O-C-N 123.458 0.473 . . . . 0.0 111.104 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 27.0 mt -61.97 -41.52 98.09 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.408 0.442 . . . . 0.0 111.11 -179.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -62.26 -43.02 99.78 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.304 0.377 . . . . 0.0 110.824 -179.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -71.28 -37.9 71.85 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.019 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -62.88 -46.21 88.91 Favored 'General case' 0 CA--C 1.522 -0.123 0 O-C-N 123.376 0.422 . . . . 0.0 110.019 -179.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -64.62 -32.29 73.88 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.591 0.557 . . . . 0.0 110.743 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 80.3 tt0 -60.59 -47.72 84.97 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.02 -38.17 75.85 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.8 179.152 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -64.8 -40.38 95.13 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.425 0.453 . . . . 0.0 111.439 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.37 -47.29 73.87 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.257 0.348 . . . . 0.0 110.581 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.497 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.1 tm? -66.3 -41.72 89.36 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.953 0.406 . . . . 0.0 109.917 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.545 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -63.43 -39.76 95.36 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.494 179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 28.9 tp -64.83 -38.48 91.11 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.509 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -61.58 -41.52 97.52 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.667 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.583 HD12 HD11 ' B' ' 44' ' ' ILE . 79.0 mt -62.79 -42.12 99.56 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.234 179.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -61.13 -41.18 96.26 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.019 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -70.11 -42.44 72.65 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.41 179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 44.3 mtm -63.17 -45.27 92.62 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.246 0.341 . . . . 0.0 111.206 -179.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.587 ' C ' HD12 ' B' ' 73' ' ' LEU . 33.1 m-85 -65.26 -40.55 94.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.637 179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -68.39 -31.88 71.54 Favored 'General case' 0 CA--C 1.531 0.227 0 O-C-N 123.555 0.534 . . . . 0.0 110.682 179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -61.14 -38.89 88.0 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.543 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -60.37 -37.79 81.85 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.203 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.592 ' O ' HG23 ' C' ' 686' ' ' THR . 74.0 mtp180 -64.76 -37.58 88.07 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.095 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 89.3 mmt-85 -33.12 132.59 0.16 Allowed 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.863 0.727 . . . . 0.0 111.616 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . 0.592 HG23 ' O ' ' C' ' 684' ' ' ARG . 68.6 p -132.02 173.95 10.68 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.586 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 49.9 t -62.57 -41.09 90.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.664 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 5.2 t -53.09 -25.64 13.63 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.085 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 60.23 158.95 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.448 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -108.88 159.46 16.78 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.555 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -126.42 151.03 48.24 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.507 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -60.96 148.2 46.06 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 30.6 p -155.39 168.19 27.9 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.501 0.191 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 47.3 t -110.41 126.59 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.825 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -83.75 -20.37 33.48 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.435 179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -56.22 150.07 15.01 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.417 ' OH ' HG22 ' A' ' 20' ' ' VAL . 44.1 m-85 -62.96 158.92 18.05 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.207 179.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 67.5 mt -79.03 133.5 36.81 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.989 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 6.0 mp -121.3 128.03 51.92 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.565 179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 65.6 mtm180 -64.91 -36.15 83.44 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.347 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 91.9 p -56.97 -32.96 66.6 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.817 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 73.8 p -100.73 69.05 1.35 Allowed 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.06 0.457 . . . . 0.0 110.685 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 -62.59 -42.38 99.53 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.462 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 71.1 mtm -66.67 -38.8 87.58 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.604 179.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 55.6 92.92 0.03 OUTLIER 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.474 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 80.81 156.9 14.93 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -154.77 152.9 30.41 Favored 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.558 0.218 . . . . 0.0 110.571 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 61.5 pttt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 117.995 -1.003 . . . . 0.0 110.453 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -140.73 156.14 46.28 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.724 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -56.79 141.0 45.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.375 179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.4 m -107.26 115.66 30.56 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.394 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -110.07 25.01 12.26 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.533 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 89.6 p -57.76 -40.83 80.69 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.706 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 81.6 mt -66.19 -43.07 92.1 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -63.85 -44.73 92.25 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.086 -178.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.2 p -63.26 -37.68 80.11 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -56.62 -40.91 76.19 Favored 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 123.37 0.418 . . . . 0.0 109.962 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -60.86 -41.76 96.52 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.425 0.453 . . . . 0.0 109.996 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.74 -43.09 98.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD22 ' HB ' ' A' ' 30' ' ' ILE . 33.8 tp -59.76 -45.15 93.13 Favored 'General case' 0 N--CA 1.463 0.183 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 -178.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -69.61 -32.76 71.67 Favored 'General case' 0 CA--C 1.532 0.265 0 O-C-N 123.41 0.444 . . . . 0.0 110.086 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -68.52 -35.25 77.2 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 -179.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -88.63 -41.87 14.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 O-C-N 123.357 0.411 . . . . 0.0 111.925 -177.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -157.12 90.79 2.45 Favored Pre-proline 0 CA--C 1.548 0.89 0 O-C-N 123.166 0.291 . . . . 0.0 110.566 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -55.7 -35.23 92.81 Favored 'Trans proline' 0 N--CA 1.504 2.092 0 C-N-CA 122.504 2.136 . . . . 0.0 112.928 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.2 -44.22 97.63 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 123.459 0.474 . . . . 0.0 111.799 -178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 38.5 p -76.22 134.79 39.76 Favored 'General case' 0 C--O 1.235 0.292 0 O-C-N 123.43 0.456 . . . . 0.0 110.905 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -109.45 173.44 17.05 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.409 ' HB ' HD22 ' A' ' 21' ' ' LEU . 17.8 tt -134.25 146.66 30.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 120.8 0.333 . . . . 0.0 110.407 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 40.7 t -80.4 146.98 31.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.136 179.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 84.6 p -59.62 -30.49 68.74 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 123.316 0.646 . . . . 0.0 110.246 -177.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -68.06 -39.61 82.94 Favored 'General case' 0 C--N 1.347 0.481 0 C-N-CA 122.996 0.518 . . . . 0.0 110.345 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.16 -39.08 93.25 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.022 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 65.9 mtp -61.92 -43.64 98.43 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.251 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.15 -42.37 99.72 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.75 -43.25 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.7 mmm -65.23 -38.11 89.36 Favored 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.475 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.47 -42.32 99.4 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.336 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 95.7 p -65.45 -36.52 84.14 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.169 179.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' CE1' HD21 ' A' ' 186' ' ' LEU . 52.3 t80 -61.72 -42.79 99.43 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 179.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.08 -43.41 96.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -179.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.15 -43.08 96.03 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.358 0.411 . . . . 0.0 110.808 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -65.08 -43.59 91.68 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.321 0.388 . . . . 0.0 110.929 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.5 mm -64.8 -41.58 92.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.421 ' CD2' HD21 ' A' ' 140' ' ' LEU . 89.7 t80 -55.31 -45.59 76.29 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.446 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.39 -40.0 92.9 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.394 0.434 . . . . 0.0 111.687 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 89.4 mtt180 -64.07 -44.49 92.22 Favored 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.23 0.331 . . . . 0.0 111.763 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.595 HG21 HD13 ' A' ' 140' ' ' LEU . 18.9 mm -64.61 -46.27 92.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 O-C-N 123.314 0.384 . . . . 0.0 110.373 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.9 -39.64 95.12 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.441 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -62.52 -46.38 93.92 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 -179.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -66.37 -42.11 88.46 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 110.44 -0.207 . . . . 0.0 110.44 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.57 91.51 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.364 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.2 t -61.06 -43.92 98.15 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 109.995 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 91.3 mtm-85 -63.54 -40.55 97.31 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.382 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.69 -39.76 95.0 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.652 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.11 -37.51 85.39 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.374 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -62.32 -43.11 99.59 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.024 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -63.61 -39.51 94.54 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.405 0.441 . . . . 0.0 110.264 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 90.3 m-20 -85.33 -1.53 57.08 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.109 -0.496 . . . . 0.0 112.077 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.9 mttt 53.74 33.51 16.98 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.865 0.364 . . . . 0.0 111.289 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -98.9 136.02 39.5 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.624 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 72.3 m -87.57 -11.95 47.17 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.65 179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 23.4 m -119.46 127.66 53.28 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 120.634 0.255 . . . . 0.0 110.63 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.431 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 91.0 mt -82.23 136.95 21.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.4 p -127.43 171.73 11.29 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.697 0.623 . . . . 0.0 111.226 -179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 79.6 p -57.54 -33.44 68.11 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.221 -0.899 . . . . 0.0 111.772 -179.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 77.3 ttt-85 -60.41 -42.9 96.96 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.23 0.331 . . . . 0.0 110.762 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' OE2' ' HA ' ' A' ' 65' ' ' ILE . 93.8 mt-10 -64.96 -44.55 89.02 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.235 0.334 . . . . 0.0 110.328 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.644 HD11 ' HB1' ' A' ' 136' ' ' ALA . 86.6 mt -64.51 -42.27 94.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.932 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -55.28 -44.81 75.99 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.178 0.299 . . . . 0.0 110.881 -178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.7 m -63.45 -41.97 98.64 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.283 0.365 . . . . 0.0 110.425 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.13 -40.92 98.99 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.829 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.404 HG21 HG21 ' A' ' 143' ' ' VAL . 75.6 t -62.08 -43.86 98.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 123.283 0.365 . . . . 0.0 110.206 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -63.26 -38.23 90.33 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.307 0.379 . . . . 0.0 111.488 -178.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 69.4 mt -74.08 -32.4 63.24 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -178.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 60.4 mt -85.39 -36.92 20.39 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 -178.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 78' ' ' LEU . 7.7 mp -97.68 150.03 36.35 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -178.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -58.43 165.73 7.15 Favored 'Trans proline' 0 N--CA 1.501 1.941 0 C-N-CA 122.385 2.057 . . . . 0.0 111.544 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -55.33 -47.16 76.95 Favored Glycine 0 CA--C 1.529 0.965 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.455 -178.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.69 -46.95 87.51 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.781 0.291 . . . . 0.0 111.512 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.04 -39.12 92.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.14 -179.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.612 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.9 -40.96 97.71 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.981 -179.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -60.22 -45.58 92.72 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.676 -0.238 . . . . 0.0 111.311 -178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -69.55 -39.17 77.58 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.346 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.16 84.38 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.23 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 83' ' ' ALA . 78.7 t -61.74 -42.68 95.31 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.385 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 67.2 m -62.89 -37.09 85.54 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -68.94 -45.65 70.22 Favored 'General case' 0 C--N 1.347 0.467 0 C-N-CA 122.825 0.45 . . . . 0.0 111.508 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -67.52 -42.11 89.25 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 -179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 67.5 m -60.91 -48.32 82.36 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.04 -36.86 82.99 Favored 'General case' 0 N--CA 1.462 0.171 0 O-C-N 123.479 0.487 . . . . 0.0 110.819 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.36 -44.82 92.66 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.5 t -66.48 -43.03 91.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.7 m -59.77 -42.01 92.36 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.852 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -61.34 -42.7 99.12 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 179.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -60.36 -45.85 92.03 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 55.5 p -68.75 -33.86 74.62 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.049 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.5 p -73.92 -36.82 64.75 Favored 'General case' 0 N--CA 1.437 -1.09 0 O-C-N 118.504 -2.623 . . . . 0.0 110.1 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 25.2 m -99.45 111.24 23.63 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 118.668 -1.213 . . . . 0.0 110.711 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.12 161.67 17.46 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.553 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 4.0 p 57.97 21.39 7.69 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.187 -179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.479 ' HB3' ' HG3' ' A' ' 109' ' ' ARG . . . -58.49 165.43 2.14 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.274 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -66.68 -45.23 79.54 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.873 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.4 p -134.13 166.17 23.38 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.778 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -66.61 -43.73 84.03 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.862 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 15.5 m -61.19 -34.37 74.97 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.651 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 48.0 t -61.15 -38.5 86.66 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.326 0.391 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.479 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 99.4 mtt180 -61.88 -35.33 78.0 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.692 -179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.56 -26.59 21.89 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.314 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 68.62 30.47 72.92 Favored Glycine 0 CA--C 1.529 0.913 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.0 mt -106.56 132.26 52.78 Favored 'General case' 0 N--CA 1.465 0.304 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 -179.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -55.12 -41.41 71.65 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.528 -179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -62.16 145.05 94.03 Favored Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.429 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.425 ' O ' HG23 ' A' ' 119' ' ' VAL . 39.8 Cg_endo -70.47 105.63 1.64 Allowed 'Trans proline' 0 N--CA 1.498 1.746 0 C-N-CA 122.002 1.801 . . . . 0.0 111.992 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.07 -44.23 97.67 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.145 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -61.17 -39.07 96.64 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -63.77 -41.14 98.02 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 110.624 -0.139 . . . . 0.0 110.624 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 115' ' ' PRO . 86.9 t -59.43 -44.52 92.87 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -59.59 -44.03 93.48 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.441 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -65.94 -38.98 90.04 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.155 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 63.9 mt -62.14 -41.64 98.47 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.505 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.86 -43.2 98.69 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.25 0.344 . . . . 0.0 110.784 -179.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 74.5 ttp85 -64.32 -40.77 96.57 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.456 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.87 -40.69 98.28 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.568 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.41 -8.99 41.06 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 111.825 -0.51 . . . . 0.0 111.825 179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 30.3 m120 57.42 31.82 20.81 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.769 0.284 . . . . 0.0 111.399 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -64.11 -43.1 96.35 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.307 179.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 42.1 t -146.46 163.02 37.01 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.521 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.59 -38.02 83.41 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.003 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -131.61 150.21 52.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.74 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.4 t -130.83 138.12 54.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -86.57 177.92 48.67 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.598 -0.601 . . . . 0.0 111.598 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -91.76 -33.46 15.0 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 120.85 0.357 . . . . 0.0 110.956 179.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -69.33 -19.28 74.15 Favored Glycine 0 CA--C 1.534 1.267 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.848 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.764 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -75.26 -58.72 1.44 Allowed Pre-proline 0 CA--C 1.54 0.568 0 CA-C-O 118.877 -0.582 . . . . 0.0 109.969 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.764 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 37.1 Cg_exo -55.09 -38.25 93.58 Favored 'Trans proline' 0 N--CA 1.494 1.531 0 C-N-CA 121.69 1.593 . . . . 0.0 111.145 178.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 134' ' ' ALA . 95.8 t -64.67 -45.56 94.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.441 ' O ' HG23 ' A' ' 143' ' ' VAL . 54.1 t80 -62.3 -46.07 90.39 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.011 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 49' ' ' ILE . 34.5 tp -63.05 -39.77 95.73 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.504 -179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -58.84 -41.51 87.09 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 123.479 0.487 . . . . 0.0 110.646 -179.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.77 -41.65 82.93 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 123.422 0.451 . . . . 0.0 111.094 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 139' ' ' TYR . 66.1 t -63.38 -46.76 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.333 -179.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.51 -41.56 98.51 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.403 0.439 . . . . 0.0 110.668 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -64.76 -37.48 87.74 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.362 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -60.22 -47.05 87.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.258 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 50.7 mt -62.87 -42.56 99.8 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.241 0.338 . . . . 0.0 110.823 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.9 m -63.13 -43.14 99.24 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.584 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.78 99.16 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.538 -179.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 70.3 mt-10 -66.31 -42.29 88.47 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.281 0.363 . . . . 0.0 111.572 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 92.1 mt -64.28 -43.13 97.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.75 -40.97 98.91 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.396 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -68.21 -44.96 74.6 Favored 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.111 0.257 . . . . 0.0 110.69 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.623 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 74.2 mt -62.49 -40.5 96.88 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.038 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.69 83.33 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.175 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -60.17 -42.45 98.61 Favored Glycine 0 C--N 1.337 0.633 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -63.41 -41.84 98.73 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 110.08 -0.341 . . . . 0.0 110.08 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -61.11 -43.67 98.52 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -66.48 -35.18 79.63 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.833 178.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -58.38 -44.24 88.84 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.09 -34.76 78.77 Favored 'General case' 0 N--CA 1.466 0.346 0 O-C-N 123.295 0.372 . . . . 0.0 110.486 178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -89.63 17.89 6.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.503 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 60.2 pttt 41.14 41.16 1.28 Allowed 'General case' 0 N--CA 1.482 1.168 0 CA-C-O 121.025 0.44 . . . . 0.0 111.638 179.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 50.8 mttp -110.64 143.68 40.7 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.213 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 75.8 p -104.57 8.82 35.48 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.477 179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -130.11 125.72 35.81 Favored 'General case' 0 C--N 1.344 0.348 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 79.2 mt -78.27 129.58 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 17.0 pt -127.92 165.0 33.26 Favored Pre-proline 0 CA--C 1.541 0.625 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.013 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -51.1 -35.29 50.86 Favored 'Trans proline' 0 N--CA 1.5 1.875 0 C-N-CA 122.15 1.9 . . . . 0.0 112.3 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -61.96 -40.11 94.42 Favored 'General case' 0 C--O 1.234 0.252 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -66.73 -41.17 88.3 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.451 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.9 mt -62.99 -42.82 99.95 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.584 0.552 . . . . 0.0 110.947 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -65.3 -42.17 93.33 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.463 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 58.9 mt -64.18 -41.97 96.88 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.256 -179.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.623 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -62.98 -40.33 97.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.292 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.477 HD13 HD13 ' A' ' 186' ' ' LEU . 92.4 mt -64.33 -43.9 97.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.278 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -69.81 -21.64 63.37 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 123.384 0.427 . . . . 0.0 111.801 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -77.21 -16.32 59.11 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -114.16 119.73 38.09 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 110.153 -0.314 . . . . 0.0 110.153 179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 19.1 mp0 -64.25 -36.48 84.21 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.416 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.3 mp0 -65.24 -46.41 80.7 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 123.39 0.432 . . . . 0.0 111.268 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 70.9 mt -65.66 -35.26 80.28 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.719 179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -60.17 -40.81 91.23 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.262 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -63.75 -44.61 92.97 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.471 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 39.1 tp -65.77 -40.92 92.48 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.574 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.477 HD13 HD13 ' A' ' 176' ' ' ILE . 66.4 mt -96.65 17.4 16.5 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.116 -178.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -60.09 -35.68 88.24 Favored Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.149 -0.78 . . . . 0.0 111.149 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -98.94 11.1 39.92 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 111.735 0.272 . . . . 0.0 111.735 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 85.8 t -123.99 128.75 74.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.4 m -119.07 123.36 44.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.436 178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 44.0 mm -63.18 -44.82 99.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.091 -179.377 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -141.29 143.59 34.16 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.715 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -138.58 -48.6 0.52 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.098 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.735 0 CA-C-O 117.984 -1.453 . . . . 0.0 110.954 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.5 ttp . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -115.05 131.35 56.95 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.9 179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.45 HD12 HD12 ' B' ' 67' ' ' LEU . 43.1 pt -129.44 154.02 39.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.01 179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -107.93 143.36 36.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.668 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 42.9 t -122.56 127.7 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 62.1 mttp -114.78 150.07 35.99 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.224 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 63.0 p -119.84 166.5 13.2 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.503 -179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 82.9 mt -61.83 -20.17 63.36 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.086 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 44.4 p -70.26 -25.38 63.33 Favored 'General case' 0 N--CA 1.441 -0.913 0 O-C-N 119.612 -1.93 . . . . 0.0 111.397 175.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.89 11.68 31.84 Favored Glycine 0 C--N 1.358 1.775 0 O-C-N 121.001 -1.062 . . . . 0.0 112.541 -174.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -91.99 153.35 19.51 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 36.3 m -130.28 130.11 44.12 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.3 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.603 HD12 ' HD2' ' B' ' 33' ' ' LYS . 45.7 pt -123.8 136.02 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.205 179.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -91.33 129.22 37.35 Favored 'General case' 0 N--CA 1.435 -1.216 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.76 -177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.478 HD11 ' HD3' ' B' ' 29' ' ' LYS . 14.3 tp -127.37 134.36 49.95 Favored 'General case' 0 C--N 1.347 0.494 0 CA-C-N 115.144 -0.935 . . . . 0.0 110.701 -175.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -105.66 114.37 28.5 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.259 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.5 m -141.11 166.14 18.59 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.144 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -109.76 159.23 32.45 Favored Pre-proline 0 CA--C 1.54 0.587 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.494 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -54.89 -29.76 65.19 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.284 1.99 . . . . 0.0 112.539 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 4.5 m -80.23 -15.02 57.92 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -179.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -62.66 142.97 57.83 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.558 0.218 . . . . 0.0 110.595 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 8.3 p -83.09 156.27 23.41 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.954 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 33.2 mm -64.42 -42.63 95.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.731 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -56.36 -39.69 73.3 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.238 0.336 . . . . 0.0 110.118 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -61.47 -39.28 90.32 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.095 179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.41 -43.11 98.34 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.61 -38.35 89.86 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.996 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.36 96.48 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.382 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.478 ' HD3' HD11 ' B' ' 15' ' ' LEU . 61.0 mttp -63.28 -39.91 95.89 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.93 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.79 -41.35 92.26 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -54.74 -39.0 67.83 Favored 'General case' 0 C--O 1.222 -0.35 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.67 -35.79 81.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 121.203 -0.199 . . . . 0.0 110.901 179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.603 ' HD2' HD12 ' B' ' 13' ' ' ILE . 98.5 mttt -78.85 -45.55 20.51 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -178.196 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.567 ' HG2' HD11 ' B' ' 36' ' ' ILE . 23.2 tp10 -95.46 -36.93 11.14 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 176.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 92.04 31.41 9.2 Favored Glycine 0 C--N 1.356 1.691 0 C-N-CA 124.43 1.014 . . . . 0.0 111.948 -170.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.567 HD11 ' HG2' ' B' ' 34' ' ' GLU . 59.7 mt -99.36 115.99 65.32 Favored Pre-proline 0 CA--C 1.552 1.023 0 CA-C-O 118.96 -0.543 . . . . 0.0 110.108 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_endo -49.88 135.97 35.87 Favored 'Trans proline' 0 N--CA 1.502 2.004 0 C-N-CA 122.352 2.035 . . . . 0.0 111.843 179.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -52.18 -35.51 63.27 Favored 'Trans proline' 0 N--CA 1.503 2.033 0 C-N-CA 122.302 2.001 . . . . 0.0 112.891 -179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.553 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 68.6 m-20 -60.78 -36.61 79.41 Favored 'General case' 0 N--CA 1.427 -1.623 0 C-N-CA 119.055 -1.058 . . . . 0.0 108.389 -178.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -92.6 11.84 25.19 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 122.696 0.399 . . . . 0.0 112.075 -174.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.454 ' HG3' HG22 ' B' ' 36' ' ' ILE . 86.2 mt-30 -108.03 125.17 51.24 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -117.04 134.34 54.88 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.516 ' HB3' HD12 ' B' ' 50' ' ' LEU . 75.1 mt -114.09 136.76 52.57 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.638 HD11 HD12 ' C' ' 676' ' ' LEU . 97.6 mt -129.94 139.01 52.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 O-C-N 123.469 0.481 . . . . 0.0 110.439 -179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -124.14 126.24 45.83 Favored 'General case' 0 C--O 1.232 0.154 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 178.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.21 26.95 8.99 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.796 -178.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 13.76 76.99 Favored Glycine 0 CA--C 1.535 1.289 0 CA-C-N 116.561 -0.291 . . . . 0.0 112.423 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -109.94 135.09 51.35 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.412 ' OE1' HD13 ' C' ' 676' ' ' LEU . 61.7 tp60 -64.86 143.18 58.12 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.398 0.436 . . . . 0.0 110.415 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.516 HD12 ' HB3' ' B' ' 43' ' ' LEU . 63.1 mt -110.94 134.9 52.2 Favored 'General case' 0 N--CA 1.466 0.338 0 O-C-N 123.543 0.527 . . . . 0.0 110.935 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -84.59 134.76 34.38 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.344 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -65.82 -35.33 80.38 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.788 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.72 15.79 45.01 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-N 116.099 -0.501 . . . . 0.0 113.061 -178.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -121.22 156.16 33.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 117.294 0.547 . . . . 0.0 110.816 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.447 ' O ' ' OD1' ' B' ' 58' ' ' ASP . 70.3 p -86.5 164.76 16.75 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.37 -179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.09 -37.91 89.03 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.321 0.388 . . . . 0.0 111.041 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.3 t -59.22 -27.65 65.94 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.376 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . 0.447 ' OD1' ' O ' ' B' ' 55' ' ' THR . 1.8 p-10 -56.37 -31.0 63.39 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 111.458 0.169 . . . . 0.0 111.458 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -100.67 12.67 36.95 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 57.99 43.36 21.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.008 0.432 . . . . 0.0 111.169 179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.5 mt -79.72 127.4 39.23 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -104.81 -177.9 3.5 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.818 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -62.31 148.37 45.28 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.101 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 56.4 82.35 0.11 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.336 -179.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 64.0 p -131.28 156.37 45.55 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.347 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 27.9 m -112.67 126.22 55.14 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.453 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.45 HD12 HD12 ' B' ' 3' ' ' ILE . 69.2 mt -117.33 125.34 50.89 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.276 179.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -86.43 149.6 24.88 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.051 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 19.4 tp -111.51 131.16 55.43 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.081 -177.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.84 HG22 ' HB1' ' C' ' 673' ' ' ALA . 15.6 t -129.03 164.2 32.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 CA-C-N 115.244 -0.889 . . . . 0.0 108.74 179.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.489 ' N ' HG12 ' B' ' 70' ' ' VAL . 10.1 tp -103.63 115.07 29.82 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -178.306 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.553 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 40.6 ttm180 -79.73 136.36 36.75 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 178.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.43 HD12 ' HB3' ' C' ' 680' ' ' PHE . 74.3 mt -121.37 35.6 4.84 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 120.876 0.369 . . . . 0.0 111.646 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.432 ' H ' ' HG2' ' B' ' 72' ' ' ARG . 94.0 mtt-85 -125.98 145.86 50.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.765 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 80.33 -168.02 51.3 Favored Glycine 0 N--CA 1.465 0.612 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.709 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.913 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -131.36 151.38 51.58 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.625 0.25 . . . . 0.0 110.751 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 93.5 mtp -64.4 -33.55 76.13 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.604 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 66.02 56.73 1.07 Allowed Pre-proline 0 CA--C 1.556 1.211 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.244 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.54 -8.44 22.55 Favored 'Trans proline' 0 N--CA 1.503 2.041 0 C-N-CA 122.035 1.823 . . . . 0.0 112.696 179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.1 t -61.49 -41.59 90.67 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 -178.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.413 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 69.8 mt -60.18 -44.26 95.2 Favored 'General case' 0 N--CA 1.463 0.222 0 O-C-N 123.145 0.278 . . . . 0.0 110.878 -179.207 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -66.54 -41.6 88.47 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.923 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.83 -39.37 87.65 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.223 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.413 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 67.6 mtm -63.48 -36.64 84.43 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -64.53 -44.56 90.46 Favored 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.202 0.313 . . . . 0.0 110.551 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -68.84 -44.42 73.46 Favored 'General case' 0 C--O 1.236 0.356 0 O-C-N 123.353 0.408 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -64.44 -39.63 94.19 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.992 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 30.5 mt -62.92 -39.01 93.25 Favored 'General case' 0 C--O 1.232 0.147 0 O-C-N 123.403 0.439 . . . . 0.0 110.849 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -62.2 -43.64 98.36 Favored 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.197 0.311 . . . . 0.0 110.702 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -73.29 -38.83 65.76 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -63.72 -45.76 88.48 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.203 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -63.63 -34.8 78.64 Favored 'General case' 0 CA--C 1.52 -0.178 0 O-C-N 123.444 0.465 . . . . 0.0 110.671 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -60.63 -46.91 88.51 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -70.48 -37.31 74.22 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 58.8 mtm180 -63.89 -38.12 89.92 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.332 0.395 . . . . 0.0 111.076 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -65.92 -45.73 80.81 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.345 0.403 . . . . 0.0 110.016 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.506 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -65.55 -42.08 92.27 Favored 'General case' 0 C--O 1.237 0.403 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.84 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -63.24 -38.55 91.59 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.463 179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . 0.424 HD21 ' NH2' ' C' ' 678' ' ' ARG . 23.1 tp -61.25 -38.56 87.14 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.96 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -62.54 -42.73 99.72 Favored 'General case' 0 C--O 1.232 0.17 0 O-C-N 123.44 0.462 . . . . 0.0 110.035 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.638 HD12 HD11 ' B' ' 44' ' ' ILE . 92.7 mt -64.89 -43.96 91.22 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.011 179.121 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.79 -42.72 98.13 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.231 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . 0.424 ' NH2' HD21 ' C' ' 674' ' ' LEU . 99.2 mtt180 -67.92 -44.49 76.75 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.764 179.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 66.6 mtm -65.08 -45.51 84.99 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.566 -179.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.43 ' HB3' HD12 ' B' ' 73' ' ' LEU . 22.1 m-85 -63.7 -41.27 98.14 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.587 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -68.47 -33.91 74.99 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.51 0.506 . . . . 0.0 110.694 178.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -59.78 -40.83 89.56 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.584 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -56.81 -39.48 74.23 Favored 'General case' 0 C--O 1.233 0.207 0 O-C-N 123.413 0.446 . . . . 0.0 110.047 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 92.5 mtt-85 -94.33 2.88 55.8 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.474 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 84.0 mtm-85 63.13 176.77 0.15 Allowed 'General case' 0 C--O 1.235 0.311 0 C-N-CA 123.011 0.525 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 76.7 p -129.64 153.59 47.96 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.414 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 61.8 t -66.65 -44.91 89.47 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.96 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 46.6 t -161.11 168.45 24.3 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.979 -179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -63.45 -36.96 85.49 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 74.1 mtp180 -46.25 117.54 1.6 Allowed 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.056 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -122.69 133.77 54.49 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.411 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 81.33 25.72 53.83 Favored Glycine 0 CA--C 1.532 1.155 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 87.2 p -80.11 -15.61 56.75 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-O 120.456 0.169 . . . . 0.0 111.016 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 35.9 m -99.29 26.35 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 120.832 0.348 . . . . 0.0 110.594 179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -81.05 -17.97 48.34 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.39 179.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -129.87 144.71 51.45 Favored 'General case' 0 C--O 1.235 0.318 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -70.98 -179.12 2.16 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.203 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 14.7 tp -90.55 126.13 35.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.526 -179.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 74.3 mt -130.21 150.9 51.25 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.339 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -61.42 142.61 56.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.54 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 31.2 p -153.35 159.05 42.38 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.594 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 87.0 p -92.17 1.34 57.27 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.424 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -62.78 -39.75 95.18 Favored 'General case' 0 C--N 1.344 0.361 0 C-N-CA 122.207 0.203 . . . . 0.0 110.763 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 77.8 mtm 55.12 177.68 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.483 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -105.57 155.39 19.25 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.606 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 128.14 170.86 12.89 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -136.37 149.67 48.45 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.481 0.181 . . . . 0.0 110.516 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 68.3 mttm . . . . . 0 C--O 1.221 -0.421 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.52 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 . . . . . 0 N--CA 1.493 1.703 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -100.49 151.72 21.22 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.577 -179.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 53.6 mp0 -121.92 145.57 47.97 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.77 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.3 p -104.24 81.19 1.8 Allowed 'General case' 0 C--O 1.237 0.435 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.585 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -89.26 18.74 4.85 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.499 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.414 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.7 p -60.19 -41.73 93.57 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.986 0.422 . . . . 0.0 111.083 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.45 -42.25 80.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.419 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.939 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -64.34 -43.42 94.64 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.08 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 14' ' ' SER . 12.2 p -63.08 -37.24 78.86 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.45 -41.53 85.36 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -59.64 -45.05 93.15 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.095 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.409 HG13 ' CE2' ' C' ' 697' ' ' TYR . 41.2 t -63.82 -39.54 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.45 HD13 HD22 ' A' ' 152' ' ' LEU . 58.1 tp -57.28 -45.26 84.27 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.51 -35.78 75.84 Favored 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.347 0.404 . . . . 0.0 110.366 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -68.66 -36.31 78.4 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.772 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.446 HG23 ' HB2' ' C' ' 697' ' ' TYR . 9.4 p -80.78 -37.51 16.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-N 116.528 -0.306 . . . . 0.0 111.719 -177.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -172.71 92.66 0.38 Allowed Pre-proline 0 CA--C 1.548 0.897 0 O-C-N 123.267 0.354 . . . . 0.0 110.678 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.03 -33.5 95.82 Favored 'Trans proline' 0 N--CA 1.505 2.168 0 C-N-CA 122.616 2.21 . . . . 0.0 112.959 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -59.24 -46.05 89.53 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.023 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 77.6 p -76.87 132.07 38.94 Favored 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.302 0.376 . . . . 0.0 110.824 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -106.0 174.81 20.99 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.398 -1.081 . . . . 0.0 110.398 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.8 tt -137.94 141.82 37.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-O 120.756 0.313 . . . . 0.0 110.277 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 25.1 p -80.57 162.26 24.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.065 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 66.7 m -61.98 -37.77 86.07 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 123.323 0.649 . . . . 0.0 109.895 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.83 -44.94 84.06 Favored 'General case' 0 C--N 1.348 0.516 0 C-N-CA 123.143 0.577 . . . . 0.0 111.001 179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.75 -39.13 93.52 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.2 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 ttm -62.41 -45.42 93.21 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.328 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -62.59 -39.23 97.61 Favored Glycine 0 CA--C 1.528 0.864 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.31 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.56 -41.58 93.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 90.0 mmm -61.01 -36.24 78.99 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.257 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -61.27 -42.24 98.3 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.7 m -67.19 -33.99 76.57 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 123.463 0.477 . . . . 0.0 110.478 178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.496 ' CZ ' HD11 ' A' ' 45' ' ' ILE . 83.5 t80 -60.42 -44.28 95.91 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.403 HG13 HD22 ' A' ' 144' ' ' LEU . 59.7 t -66.93 -43.75 89.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.078 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -62.68 -41.02 98.88 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.787 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -60.35 -48.63 80.93 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.496 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 96.7 mt -67.4 -40.66 85.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.239 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.423 ' CD1' HD21 ' A' ' 140' ' ' LEU . 67.5 t80 -54.76 -46.19 74.32 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.71 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.85 -41.1 83.45 Favored 'General case' 0 C--O 1.234 0.26 0 O-C-N 123.421 0.451 . . . . 0.0 112.142 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.23 -46.42 83.9 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.449 HG21 HD13 ' A' ' 140' ' ' LEU . 94.9 mt -64.08 -43.11 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.242 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.95 -40.36 80.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.264 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.56 -43.03 87.39 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.555 -0.618 . . . . 0.0 111.555 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.18 -43.29 92.13 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 110.499 -0.186 . . . . 0.0 110.499 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -40.08 95.88 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.505 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.6 t -62.26 -42.54 99.42 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.555 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -62.72 -41.58 99.22 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.648 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.56 -41.51 98.96 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.494 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.42 83.82 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.417 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -62.37 -40.18 95.6 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.298 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -61.88 -41.83 98.34 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.617 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -90.52 -2.92 57.91 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.326 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.9 mttt 51.99 29.54 6.33 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 120.814 0.34 . . . . 0.0 111.338 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -68.85 -37.6 79.23 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.11 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 t 72.04 -5.89 1.63 Allowed 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.499 0.32 . . . . 0.0 111.675 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 32.4 m -127.77 128.13 44.79 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.515 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 84.4 mt -84.51 135.23 25.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 82.2 p -132.39 174.47 10.21 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.88 0.738 . . . . 0.0 111.476 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.1 t -56.62 -37.72 71.11 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.034 -178.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 83.0 mtm-85 -60.15 -43.18 95.96 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.244 0.34 . . . . 0.0 111.117 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.515 ' OE2' ' HA ' ' A' ' 65' ' ' ILE . 97.6 mt-10 -62.22 -39.14 91.8 Favored 'General case' 0 C--N 1.328 -0.356 0 O-C-N 123.41 0.444 . . . . 0.0 110.776 179.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.549 ' O ' HG23 ' A' ' 74' ' ' VAL . 32.8 mm -62.4 -42.88 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.478 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.218 -179.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -61.56 -41.79 97.89 Favored 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.226 0.329 . . . . 0.0 111.093 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.8 m -63.47 -45.96 88.42 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.19 0.306 . . . . 0.0 110.717 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.59 -38.84 92.66 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.53 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 70' ' ' ILE . 79.6 t -64.89 -44.33 96.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.397 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.254 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.599 ' NH2' HG21 ' A' ' 87' ' ' VAL . 95.1 mtt-85 -63.14 -38.77 92.49 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -178.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 78.7 mt -77.7 -33.31 53.19 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.3 mt -81.73 -37.1 27.82 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.8 mp -97.95 152.37 38.03 Favored Pre-proline 0 CA--C 1.543 0.685 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -58.47 159.16 20.62 Favored 'Trans proline' 0 N--CA 1.5 1.882 0 C-N-CA 122.274 1.983 . . . . 0.0 111.522 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.38 -46.78 63.79 Favored Glycine 0 CA--C 1.53 0.999 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.482 -178.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -63.34 -47.54 81.74 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.776 0.288 . . . . 0.0 111.448 -179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.65 -37.28 87.05 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.23 -179.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.515 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -59.0 -36.73 75.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.153 -179.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -59.23 -45.58 90.77 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.254 0.346 . . . . 0.0 110.86 -179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -67.76 -38.76 83.89 Favored 'General case' 0 N--CA 1.464 0.267 0 O-C-N 123.371 0.42 . . . . 0.0 110.907 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.84 78.86 Favored 'General case' 0 C--O 1.234 0.25 0 O-C-N 123.458 0.474 . . . . 0.0 110.838 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.599 HG21 ' NH2' ' A' ' 75' ' ' ARG . 91.1 t -62.64 -42.76 97.25 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 O-C-N 123.434 0.459 . . . . 0.0 109.805 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -63.33 -42.22 98.96 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 125.206 1.402 . . . . 0.0 110.645 -178.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -69.61 -45.35 68.77 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 111.191 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.36 -40.88 79.83 Favored Glycine 0 CA--C 1.527 0.839 0 N-CA-C 111.351 -0.7 . . . . 0.0 111.351 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 87' ' ' VAL . 16.6 p -62.82 -45.93 90.33 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.432 0.158 . . . . 0.0 110.648 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -63.95 -37.6 88.02 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.614 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.11 -46.37 90.88 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.243 0.339 . . . . 0.0 110.256 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 86.1 t -66.1 -43.97 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 14.9 m -59.49 -42.82 93.03 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.826 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -63.44 -39.04 93.41 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 109' ' ' ARG . 67.7 t80 -62.27 -46.35 89.17 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.072 179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 11.0 m -69.75 -38.41 76.78 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 116.246 -0.434 . . . . 0.0 112.031 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.5 t -59.3 -33.35 70.98 Favored 'General case' 0 CA--C 1.496 -1.11 0 C-N-CA 126.069 1.748 . . . . 0.0 109.827 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 4.7 m -88.14 137.71 32.09 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.831 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.65 129.33 55.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.437 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 70.33 -64.33 0.37 Allowed 'General case' 0 N--CA 1.485 1.285 0 O-C-N 123.255 0.347 . . . . 0.0 110.659 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 54.42 -178.42 0.03 OUTLIER 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.447 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -102.15 -47.58 4.49 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.785 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . 0.61 HG23 ' H ' ' A' ' 108' ' ' SER . 4.3 t -137.78 161.26 37.04 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.268 -179.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.1 mtm-85 -65.37 -39.56 92.43 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 35.6 m -59.68 -42.43 92.89 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.61 ' H ' HG23 ' A' ' 105' ' ' THR . 70.3 m -64.18 -38.94 92.87 Favored 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.43 0.456 . . . . 0.0 110.939 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.487 ' CZ ' ' CZ ' ' A' ' 97' ' ' TYR . 70.9 mtp180 -62.12 -34.72 76.87 Favored 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.393 0.433 . . . . 0.0 110.887 -179.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.18 -31.42 20.37 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.229 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.65 29.65 57.42 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.424 HD13 ' HB3' ' A' ' 141' ' ' ALA . 85.3 mt -104.85 134.98 47.07 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.559 0.219 . . . . 0.0 110.567 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -59.15 -44.44 92.08 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.297 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -62.23 143.91 95.06 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.465 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.537 ' O ' HG23 ' A' ' 119' ' ' VAL . 34.3 Cg_endo -66.63 103.23 0.67 Allowed 'Trans proline' 0 N--CA 1.497 1.701 0 C-N-CA 122.116 1.877 . . . . 0.0 111.727 -179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.506 HG11 HG22 ' A' ' 138' ' ' VAL . 89.6 t -61.77 -42.18 93.43 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.421 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -58.76 -43.88 96.17 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 111.944 -0.462 . . . . 0.0 111.944 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 44.2 mtm-85 -65.23 -35.96 82.67 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.558 0.179 . . . . 0.0 111.388 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 115' ' ' PRO . 90.9 t -58.77 -44.32 89.95 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -61.21 -43.91 98.12 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.373 0.42 . . . . 0.0 110.384 -179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -66.36 -38.21 87.07 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 35.3 mt -62.07 -40.1 94.65 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.443 -179.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.57 -43.44 98.85 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.306 0.379 . . . . 0.0 110.644 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.73 -41.48 95.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.902 179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -62.86 -40.69 98.25 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.536 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.45 -9.53 24.87 Favored Glycine 0 CA--C 1.536 1.391 0 N-CA-C 111.713 -0.555 . . . . 0.0 111.713 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 23.6 m120 57.4 31.45 20.22 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 116.83 0.315 . . . . 0.0 111.503 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -66.72 -40.91 88.59 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.139 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 97.0 p -147.47 163.29 36.98 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.461 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -66.2 -38.43 87.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.952 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -128.49 149.59 50.52 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 94.3 t -124.89 137.51 57.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -86.61 174.98 47.01 Favored Glycine 0 N--CA 1.464 0.553 0 N-CA-C 111.529 -0.628 . . . . 0.0 111.529 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.64 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -89.74 -48.73 7.07 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.383 -0.409 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -62.57 -31.33 79.43 Favored Glycine 0 CA--C 1.529 0.909 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.925 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.483 ' HB3' ' CD ' ' A' ' 137' ' ' PRO . . . -57.88 -61.17 7.89 Favored Pre-proline 0 CA--C 1.541 0.619 0 CA-C-O 119.058 -0.496 . . . . 0.0 110.868 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.483 ' CD ' ' HB3' ' A' ' 136' ' ' ALA . 19.6 Cg_endo -60.47 -30.52 90.96 Favored 'Trans proline' 0 N--CA 1.499 1.844 0 C-N-CA 121.838 1.692 . . . . 0.0 111.679 179.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 134' ' ' ALA . 96.8 t -65.75 -43.53 93.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 143' ' ' VAL . 11.4 t80 -65.44 -43.25 91.03 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.145 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.449 HD13 HG21 ' A' ' 49' ' ' ILE . 32.5 tp -62.27 -42.57 99.45 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.665 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.424 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -61.34 -38.88 88.51 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.038 -179.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -67.03 -40.26 87.18 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.486 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . 0.464 HG21 HG21 ' A' ' 74' ' ' VAL . 94.7 t -63.72 -44.56 98.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.409 -179.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.403 HD22 HG13 ' A' ' 42' ' ' VAL . 84.2 mt -62.33 -40.78 97.48 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.401 0.438 . . . . 0.0 111.086 -179.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -59.94 -43.61 94.87 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.398 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -61.63 -47.59 84.7 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.497 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.41 -41.38 98.64 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.154 -179.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.8 m -61.52 -45.57 93.64 Favored 'General case' 0 C--O 1.232 0.148 0 O-C-N 123.361 0.413 . . . . 0.0 110.955 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.97 -38.9 86.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.862 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -63.89 -42.77 97.39 Favored 'General case' 0 C--O 1.236 0.358 0 O-C-N 123.286 0.366 . . . . 0.0 111.385 -178.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . 0.432 HD11 ' CZ ' ' A' ' 41' ' ' PHE . 92.5 mt -65.98 -43.44 92.69 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 O-C-N 123.296 0.372 . . . . 0.0 110.33 -179.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . 0.45 HD22 HD13 ' A' ' 21' ' ' LEU . 86.4 mt -61.38 -40.68 95.21 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.233 -178.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -67.14 -45.42 77.13 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.259 0.349 . . . . 0.0 110.424 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.14 -40.7 98.33 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.207 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.654 ' HB1' HG23 ' A' ' 167' ' ' ILE . . . -61.89 -37.28 84.0 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.372 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.89 95.59 Favored Glycine 0 C--N 1.338 0.684 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -63.8 -42.53 97.7 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.54 -47.29 86.1 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.522 -0.548 . . . . 0.0 109.522 179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' ' 164' ' ' LYS . . . -65.62 -36.42 83.66 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.838 178.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -60.3 -43.75 96.04 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.696 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.55 -33.95 77.1 Favored 'General case' 0 C--O 1.233 0.228 0 O-C-N 123.405 0.441 . . . . 0.0 110.386 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 79.9 m-20 -92.84 11.47 27.01 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.641 179.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt 55.63 66.4 1.22 Allowed 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.225 0.536 . . . . 0.0 110.999 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.428 ' HB2' ' HB1' ' A' ' 159' ' ' ALA . 98.5 mttt -140.91 151.95 44.65 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.657 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 18.8 p -111.65 11.16 21.11 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.496 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -124.98 148.69 48.3 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.347 0.259 . . . . 0.0 110.335 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . 0.654 HG23 ' HB1' ' A' ' 155' ' ' ALA . 75.4 mt -106.08 112.73 40.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.402 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 23.1 pt -113.35 161.04 29.09 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.054 -179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . 0.402 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 9.6 Cg_endo -47.92 -32.34 17.51 Favored 'Trans proline' 0 N--CA 1.501 1.915 0 C-N-CA 122.201 1.934 . . . . 0.0 112.117 -179.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -62.33 -43.92 97.69 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -68.18 -43.03 79.05 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.465 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 37.1 mt -61.62 -42.84 99.46 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.828 -179.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -65.69 -40.39 92.29 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.378 0.424 . . . . 0.0 110.339 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 9.1 tt -62.96 -40.64 98.3 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.474 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.438 ' HA ' ' ND2' ' A' ' 178' ' ' ASN . . . -64.03 -43.64 94.95 Favored 'General case' 0 CA--C 1.529 0.139 0 O-C-N 123.597 0.561 . . . . 0.0 111.693 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 96.0 mt -68.79 -42.8 82.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.517 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.17 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -63.59 -36.93 85.44 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.438 ' ND2' ' HA ' ' A' ' 175' ' ' ALA . 20.1 p30 -77.19 -10.63 59.53 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 111.825 0.305 . . . . 0.0 111.825 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -113.11 112.25 23.51 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -60.81 -34.4 74.47 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -64.59 -48.02 76.5 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.365 0.416 . . . . 0.0 110.77 -178.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 68.7 mt -67.9 -37.59 81.92 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.523 179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -59.86 -43.61 94.6 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.399 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -65.17 -42.66 93.47 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.868 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.05 -42.6 99.74 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . . . . . . . . . 80.4 mt -102.06 22.1 13.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.97 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -57.06 -24.85 52.36 Favored Glycine 0 CA--C 1.533 1.161 0 N-CA-C 111.497 -0.641 . . . . 0.0 111.497 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -104.09 16.83 25.38 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 111.653 0.242 . . . . 0.0 111.653 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 88.8 t -122.78 130.08 74.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 42.0 m -115.54 126.98 54.93 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.63 178.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 68.8 mt -112.14 127.25 69.45 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.902 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -144.22 143.14 30.91 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.527 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 57.5 tt0 -66.53 129.01 38.43 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.168 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.803 0 CA-C-O 117.936 -1.48 . . . . 0.0 111.14 -179.888 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttp . . . . . 0 N--CA 1.49 1.57 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -111.25 133.74 53.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.026 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.422 HD12 HD12 ' B' ' 67' ' ' LEU . 42.4 pt -134.23 154.81 38.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.001 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -110.23 140.15 44.67 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 48.3 t -121.58 126.24 74.53 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -113.81 152.51 30.55 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.117 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 55.0 p -121.43 161.97 21.26 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.308 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.06 -24.42 66.19 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.139 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 54.8 p -68.4 -19.76 64.63 Favored 'General case' 0 N--CA 1.44 -0.947 0 O-C-N 119.562 -1.961 . . . . 0.0 111.172 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.19 11.18 37.3 Favored Glycine 0 C--N 1.354 1.556 0 O-C-N 121.41 -0.806 . . . . 0.0 112.65 -172.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -88.88 152.01 22.0 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 117.158 0.479 . . . . 0.0 110.195 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 19.3 m -136.73 127.96 28.08 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.425 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.567 HD12 ' CD ' ' B' ' 33' ' ' LYS . 45.8 pt -127.09 134.18 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.431 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -88.2 127.0 35.43 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.753 0.787 . . . . 0.0 110.447 -178.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.6 tp -123.26 141.85 51.55 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 123.663 0.785 . . . . 0.0 110.807 -174.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -109.81 114.88 28.81 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.082 179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.2 m -137.08 169.41 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.977 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -116.03 154.56 48.46 Favored Pre-proline 0 CA--C 1.541 0.625 0 O-C-N 123.279 0.362 . . . . 0.0 110.64 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -54.38 -32.93 74.74 Favored 'Trans proline' 0 N--CA 1.501 1.953 0 C-N-CA 122.282 1.988 . . . . 0.0 112.436 -179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 91.5 p -81.45 -12.46 58.89 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -179.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -69.39 140.22 54.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.567 0.222 . . . . 0.0 110.583 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 72.7 p -83.2 162.14 21.33 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.911 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.529 HG22 ' HE3' ' B' ' 27' ' ' LYS . 47.6 mm -65.2 -40.75 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.9 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -55.19 -41.64 72.2 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 109.738 -0.468 . . . . 0.0 109.738 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -63.66 -39.98 95.69 Favored 'General case' 0 C--O 1.235 0.332 0 O-C-N 123.411 0.444 . . . . 0.0 110.001 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 68.0 t -63.0 -42.97 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.529 ' HE3' HG22 ' B' ' 23' ' ' ILE . 98.7 mttt -60.3 -39.95 88.79 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.685 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.39 -38.2 86.2 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.406 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -63.42 -40.06 96.16 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.059 179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.45 -41.98 93.92 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -56.53 -37.79 70.94 Favored 'General case' 0 C--O 1.221 -0.403 0 N-CA-C 109.603 -0.518 . . . . 0.0 109.603 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.54 -34.58 78.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.642 -0.253 . . . . 0.0 110.909 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.567 ' CD ' HD12 ' B' ' 13' ' ' ILE . 98.5 mttt -78.65 -47.2 17.52 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.275 1.213 . . . . 0.0 114.275 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 49.4 mm-40 -94.77 -40.2 9.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 C-N-CA 126.463 1.905 . . . . 0.0 115.929 177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.62 30.3 24.54 Favored Glycine 0 C--N 1.354 1.536 0 C-N-CA 126.177 1.846 . . . . 0.0 112.18 -168.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 82.9 mt -96.07 140.94 22.5 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -54.75 117.77 4.36 Favored 'Trans proline' 0 N--CA 1.504 2.109 0 C-N-CA 122.212 1.941 . . . . 0.0 112.517 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_exo -54.31 -41.32 77.4 Favored 'Trans proline' 0 N--CA 1.503 2.086 0 C-N-CA 122.362 2.041 . . . . 0.0 112.828 -179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -62.33 -30.11 70.93 Favored 'General case' 0 N--CA 1.436 -1.128 0 O-C-N 120.482 -1.387 . . . . 0.0 109.113 -177.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -88.16 10.09 20.57 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.575 -175.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.446 ' OE1' HD11 ' B' ' 69' ' ' LEU . 21.2 mm-40 -103.82 132.26 50.25 Favored 'General case' 0 C--N 1.346 0.452 0 CA-C-O 120.775 0.322 . . . . 0.0 111.553 -179.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.416 ' NE ' ' CZ ' ' C' ' 680' ' ' PHE . 37.5 mtt-85 -116.03 121.53 42.5 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.696 178.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.1 mt -105.99 134.72 48.66 Favored 'General case' 0 CA--C 1.517 -0.316 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.75 HD11 HD12 ' C' ' 676' ' ' LEU . 95.8 mt -122.96 136.35 60.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.201 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.87 -178.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 73.3 t80 -124.11 128.25 49.01 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 57.82 22.37 8.5 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.52 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.52 15.55 70.86 Favored Glycine 0 CA--C 1.535 1.292 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -112.17 135.82 52.36 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 117.012 0.406 . . . . 0.0 110.356 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -62.69 147.8 48.43 Favored 'General case' 0 CA--C 1.515 -0.372 0 O-C-N 123.454 0.471 . . . . 0.0 110.077 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.41 HD23 ' CZ ' ' B' ' 59' ' ' TYR . 87.7 mt -114.36 135.15 54.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.035 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.0 tp10 -91.36 145.77 24.37 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.164 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -66.04 -37.11 85.03 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.784 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.9 -8.29 86.63 Favored Glycine 0 CA--C 1.534 1.262 0 CA-C-N 115.96 -0.564 . . . . 0.0 113.326 -178.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -92.74 164.97 13.17 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 117.246 0.523 . . . . 0.0 111.036 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 18.5 p -111.11 162.77 14.57 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.734 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 78.3 mt -61.95 -40.75 96.64 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.589 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.6 p -59.3 -31.53 69.23 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.634 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -62.47 -32.6 73.51 Favored 'General case' 0 N--CA 1.468 0.442 0 O-C-N 123.081 0.238 . . . . 0.0 111.318 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.41 ' CZ ' HD23 ' B' ' 50' ' ' LEU . 59.7 m-85 -91.36 12.06 21.71 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.199 0.312 . . . . 0.0 111.785 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.9 m120 57.3 40.03 28.06 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 121.026 0.441 . . . . 0.0 111.282 179.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.0 mt -83.14 129.48 37.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.9 -174.86 2.64 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.551 -179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 mtmt -60.28 143.8 51.95 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.163 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 57.29 86.76 0.07 Allowed 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.021 -179.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 56.7 p -129.2 153.03 48.13 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.415 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.3 m -106.64 124.99 50.43 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.595 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.422 HD12 HD12 ' B' ' 3' ' ' ILE . 64.4 mt -123.34 125.01 44.23 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.957 179.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -89.23 151.65 22.03 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.554 0.534 . . . . 0.0 110.13 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.446 HD11 ' OE1' ' B' ' 41' ' ' GLN . 19.0 tp -110.94 129.48 55.87 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.157 0.504 . . . . 0.0 112.076 -177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.531 HG22 ' HB1' ' C' ' 673' ' ' ALA . 15.1 t -129.93 162.57 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 CA-C-N 115.147 -0.933 . . . . 0.0 108.633 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.467 ' N ' HG12 ' B' ' 70' ' ' VAL . 11.1 tp -108.61 123.99 49.81 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.78 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -81.05 135.51 35.84 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 61.9 mt -127.81 -1.82 5.98 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.249 0.343 . . . . 0.0 111.857 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -62.28 -44.05 97.42 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -177.29 179.58 48.01 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 -179.884 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -149.73 162.74 39.66 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.644 0.259 . . . . 0.0 110.49 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 95.8 mtp -65.36 -41.73 93.51 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.721 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 6.8 t0 62.03 82.09 0.22 Allowed Pre-proline 0 CA--C 1.547 0.835 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.233 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.42 -16.3 43.12 Favored 'Trans proline' 0 N--CA 1.502 1.994 0 C-N-CA 122.196 1.931 . . . . 0.0 112.832 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.0 t -61.61 -42.53 94.52 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -178.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 61.7 mt -60.27 -44.02 95.68 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.025 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 74.2 mtp85 -65.83 -40.74 92.07 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.144 0.278 . . . . 0.0 110.752 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.16 -40.69 90.73 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.084 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.0 mtm -64.11 -38.65 91.82 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.635 -179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -61.04 -43.85 98.28 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.257 0.348 . . . . 0.0 110.556 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -67.2 -43.25 82.56 Favored 'General case' 0 C--O 1.235 0.32 0 O-C-N 123.395 0.435 . . . . 0.0 110.917 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.7 -39.93 94.5 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.272 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 34.2 mt -62.29 -41.25 98.34 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.302 0.376 . . . . 0.0 110.899 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -62.33 -42.44 99.38 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.366 0.416 . . . . 0.0 110.803 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -71.64 -39.59 70.29 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' C' ' 670' ' ' ARG . 43.5 tt0 -63.46 -47.3 82.37 Favored 'General case' 0 CA--C 1.516 -0.351 0 O-C-N 123.38 0.425 . . . . 0.0 109.99 -179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -61.89 -34.36 75.88 Favored 'General case' 0 CA--C 1.518 -0.286 0 O-C-N 123.895 0.747 . . . . 0.0 110.743 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -60.67 -40.57 92.59 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.55 -35.28 75.27 Favored 'General case' 0 C--O 1.225 -0.191 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.678 178.728 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' C' ' 666' ' ' GLU . 54.2 mtm180 -65.6 -40.19 92.37 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.309 0.381 . . . . 0.0 110.7 -179.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -67.4 -46.29 73.67 Favored 'General case' 0 C--O 1.234 0.259 0 O-C-N 123.269 0.356 . . . . 0.0 110.539 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.521 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -66.36 -42.06 88.6 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 178.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.531 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -62.6 -38.8 91.58 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.411 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 23.2 tp -62.45 -37.17 84.87 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.831 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.92 -42.99 99.98 Favored 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.412 0.445 . . . . 0.0 110.289 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.75 HD12 HD11 ' B' ' 44' ' ' ILE . 81.4 mt -63.25 -42.47 99.2 Favored 'General case' 0 C--N 1.344 0.346 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -61.16 -42.55 98.76 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.224 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -66.9 -45.19 78.74 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.706 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 75.1 mtm -66.63 -43.4 84.79 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.407 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.416 ' CZ ' ' NE ' ' B' ' 42' ' ' ARG . 17.7 m-85 -64.03 -41.81 97.3 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.519 -179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -65.47 -35.04 79.71 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.494 0.497 . . . . 0.0 110.355 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -62.43 -41.09 98.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.632 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -64.43 -37.7 88.44 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.366 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -65.93 -46.36 78.49 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.849 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -131.61 136.27 47.63 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.676 0.61 . . . . 0.0 111.08 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 19.5 p -66.57 -39.12 88.33 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.685 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 41.4 t -88.48 126.17 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 6.4 m -84.71 132.24 34.48 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.182 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -139.96 148.82 42.49 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.325 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 12.1 tpt180 -66.08 133.5 50.88 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.439 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -61.13 -39.8 91.39 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.332 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -81.85 84.82 1.46 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.704 -0.959 . . . . 0.0 110.704 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 60.6 p -101.03 -37.77 8.47 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 120.631 0.253 . . . . 0.0 110.806 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 87.2 t -118.64 135.13 60.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.614 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -127.71 157.73 39.53 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.688 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 60.18 158.93 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.416 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.446 ' HB2' HG23 ' A' ' 24' ' ' VAL . 0.1 OUTLIER -82.82 165.32 19.94 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.188 179.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 60.4 mt -80.47 131.86 35.63 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.833 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 35.0 mt -132.63 148.53 52.36 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.585 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -91.48 97.57 11.15 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.98 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.51 -49.93 0.03 OUTLIER 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.696 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 21.1 p -73.2 155.05 39.98 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.75 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -112.61 137.05 51.44 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.621 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 91.3 mmm -96.54 136.83 36.51 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.301 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -147.75 151.59 36.32 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.608 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -97.94 150.4 19.43 Favored Glycine 0 CA--C 1.526 0.755 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -103.59 29.22 5.87 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 120.771 0.32 . . . . 0.0 110.876 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 76.9 tttt . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.399 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 . . . . . 0 N--CA 1.498 1.94 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -99.94 32.24 2.99 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.683 0.278 . . . . 0.0 110.821 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -66.44 -35.91 81.48 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.27 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.6 77.93 0.31 Allowed 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.351 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.6 m-85 -103.39 15.13 29.86 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.4 179.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.6 p -57.8 -41.61 82.48 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.731 0.301 . . . . 0.0 110.804 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 82.8 mt -67.06 -43.31 88.95 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.511 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.969 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . 0.404 ' CZ ' ' HG3' ' A' ' 115' ' ' PRO . 96.3 m-85 -64.72 -43.89 91.96 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.02 -178.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.05 -36.29 76.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -55.15 -44.67 75.33 Favored 'General case' 0 C--N 1.342 0.264 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -60.72 -42.04 96.5 Favored 'General case' 0 C--O 1.231 0.127 0 O-C-N 123.646 0.592 . . . . 0.0 109.838 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.473 HG22 ' OH ' ' C' ' 697' ' ' TYR . 50.1 t -60.54 -43.72 95.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.503 ' HA ' HG12 ' A' ' 24' ' ' VAL . 34.2 tp -60.62 -37.37 81.22 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.792 -179.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -65.56 -39.06 91.25 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -179.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.99 -36.43 59.22 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.545 -178.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.5 p -82.5 -30.52 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.703 -178.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -178.06 90.92 0.23 Allowed Pre-proline 0 CA--C 1.552 1.033 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.138 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -69.98 -27.18 25.72 Favored 'Trans proline' 0 N--CA 1.505 2.152 0 C-N-CA 122.401 2.067 . . . . 0.0 113.117 -178.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -66.01 -44.22 85.42 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.318 0.386 . . . . 0.0 111.859 -178.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.1 p -77.15 134.84 38.56 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.182 0.301 . . . . 0.0 110.69 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -105.85 176.11 21.91 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 16.9 tt -143.17 144.56 23.67 Favored 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 120.735 0.303 . . . . 0.0 110.257 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.5 p -73.1 152.57 41.15 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.239 179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.6 t -59.87 -38.03 81.01 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 123.981 0.912 . . . . 0.0 109.548 -178.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -66.1 -42.32 89.43 Favored 'General case' 0 C--N 1.348 0.513 0 C-N-CA 123.925 0.89 . . . . 0.0 110.628 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.43 91.01 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.018 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.3 tpp -63.98 -42.4 97.23 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.432 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.78 -39.05 96.94 Favored Glycine 0 CA--C 1.527 0.829 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 93.5 mt -62.57 -41.48 92.21 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 86.8 mmm -61.12 -38.56 86.81 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.042 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -60.35 -40.87 92.26 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.382 0.426 . . . . 0.0 109.98 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.0 t -63.5 -38.42 91.08 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.191 178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.44 ' HE1' HD21 ' A' ' 186' ' ' LEU . 85.3 t80 -61.25 -44.16 97.71 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.805 179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 73.2 t -59.94 -45.65 94.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -64.8 -40.47 95.28 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.409 0.443 . . . . 0.0 111.012 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -64.38 -43.66 93.79 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.363 0.415 . . . . 0.0 111.361 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.485 HG22 HD12 ' A' ' 49' ' ' ILE . 32.6 mm -63.4 -41.47 92.82 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.813 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -56.4 -45.08 80.79 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.692 -179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -64.21 -44.77 90.9 Favored 'General case' 0 C--O 1.234 0.277 0 O-C-N 123.279 0.362 . . . . 0.0 111.882 -178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -63.71 -47.32 81.61 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 111.85 0.315 . . . . 0.0 111.85 -179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.485 HD12 HG22 ' A' ' 45' ' ' ILE . 96.4 mt -65.63 -43.01 94.05 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 O-C-N 123.261 0.351 . . . . 0.0 110.13 -179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.55 -41.05 98.65 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.279 -178.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -63.52 -42.35 98.94 Favored Glycine 0 C--N 1.336 0.573 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -67.97 -40.74 83.13 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.67 93.48 Favored 'General case' 0 N--CA 1.463 0.181 0 O-C-N 123.453 0.471 . . . . 0.0 110.43 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.7 p -61.81 -44.56 96.61 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.271 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 93.6 mtm-85 -66.82 -41.63 87.2 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.464 179.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt -62.52 -41.9 99.15 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.671 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.19 86.79 Favored 'General case' 0 CA--C 1.529 0.138 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.439 179.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -61.86 -41.21 97.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.273 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 43.7 m-85 -62.14 -39.77 93.71 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.407 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -87.64 5.29 40.28 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt 56.97 39.69 29.24 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 120.961 0.41 . . . . 0.0 111.552 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 93.7 mtm-85 -103.98 113.95 27.85 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.379 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 45.8 m -73.25 -22.75 60.33 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.328 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.7 m -106.88 127.01 53.05 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.879 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.743 HG23 ' OE1' ' A' ' 69' ' ' GLU . 94.3 mt -79.53 135.51 25.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 47.0 p -133.02 172.04 13.17 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.019 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.1 p -61.22 -31.01 70.79 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.903 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -61.38 -47.17 87.06 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -177.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.743 ' OE1' HG23 ' A' ' 65' ' ' ILE . 5.7 pt-20 -66.35 -38.81 88.46 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.739 HD11 ' HB1' ' A' ' 136' ' ' ALA . 84.5 mt -65.34 -42.68 94.28 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.643 -178.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.425 HE21 HG13 ' A' ' 87' ' ' VAL . 56.8 tt0 -56.47 -42.81 78.86 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 123.36 0.413 . . . . 0.0 110.527 -178.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 39.1 m -61.08 -45.25 95.52 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 123.409 0.443 . . . . 0.0 110.009 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.05 -37.95 87.13 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.518 -179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 70' ' ' ILE . 72.8 t -61.93 -45.27 99.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.271 -179.534 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -63.52 -38.51 91.39 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.32 0.388 . . . . 0.0 111.284 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 62.6 mt -73.98 -33.02 63.69 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -178.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 64.2 mt -82.76 -37.3 24.78 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 78' ' ' LEU . 7.5 mp -93.96 145.95 30.78 Favored Pre-proline 0 CA--C 1.546 0.791 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -51.88 -179.55 0.03 OUTLIER 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 122.339 2.026 . . . . 0.0 111.818 179.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.48 67.69 Favored Glycine 0 CA--C 1.532 1.133 0 CA-C-N 116.42 -0.355 . . . . 0.0 112.906 -178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -67.73 -40.17 84.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.712 0.256 . . . . 0.0 111.488 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.527 HD11 ' NH1' ' C' ' 700' ' ' ARG . 4.4 mm? -63.48 -40.98 98.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.144 -178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -63.52 -40.82 98.04 Favored 'General case' 0 N--CA 1.463 0.183 0 O-C-N 123.465 0.478 . . . . 0.0 111.915 -179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.9 -47.31 86.96 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.013 0.196 . . . . 0.0 111.462 -178.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 79.3 m80 -70.71 -36.34 73.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.245 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.68 -36.85 79.78 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.2 -179.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 83' ' ' ALA . 79.3 t -61.19 -44.04 97.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 123.331 0.395 . . . . 0.0 110.37 -179.399 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.6 t -60.61 -40.31 91.36 Favored 'General case' 0 N--CA 1.423 -1.792 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -69.09 -50.1 51.27 Favored 'General case' 0 C--O 1.235 0.306 0 C-N-CA 124.541 1.136 . . . . 0.0 111.952 -175.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -72.36 -45.31 38.93 Favored Glycine 0 CA--C 1.526 0.733 0 O-C-N 123.443 0.465 . . . . 0.0 112.584 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.2 m -59.83 -48.61 81.01 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.254 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -65.43 -36.55 84.26 Favored 'General case' 0 N--CA 1.461 0.102 0 O-C-N 123.566 0.541 . . . . 0.0 111.187 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.39 88.85 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.236 0.335 . . . . 0.0 110.144 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 84.9 t -66.19 -45.23 90.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.5 m -61.88 -43.58 98.56 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.34 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.2 tmtt? -59.32 -38.7 80.93 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -59.3 -48.04 83.13 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.2 m -66.13 -39.72 90.09 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 123.441 0.463 . . . . 0.0 110.887 179.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.6 p -69.11 -15.56 63.46 Favored 'General case' 0 CA--C 1.499 -1.002 0 O-C-N 120.775 -1.203 . . . . 0.0 110.536 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 7.5 t -61.21 -42.68 99.02 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-N 117.735 0.243 . . . . 0.0 110.82 177.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 69.09 -70.3 0.14 Allowed 'General case' 0 N--CA 1.475 0.813 0 O-C-N 123.327 0.392 . . . . 0.0 110.331 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.2 t -118.49 132.04 56.24 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.852 0.358 . . . . 0.0 110.558 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.73 ' HB3' ' HE ' ' A' ' 109' ' ' ARG . . . -169.71 150.66 4.06 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.323 179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.1 mmtp -103.17 -13.11 16.91 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.632 179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 33.0 m -119.77 132.46 55.62 Favored 'General case' 0 C--N 1.344 0.341 0 N-CA-C 110.372 -0.233 . . . . 0.0 110.372 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 84.5 mtt85 -64.42 -43.11 95.37 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 1.4 m -63.19 -37.13 86.0 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.745 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.3 t -61.72 -39.61 92.15 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.73 ' HE ' ' HB3' ' A' ' 103' ' ' ALA . 93.6 mtt180 -61.27 -34.71 75.61 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.14 -31.83 20.2 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.472 179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 76.78 26.76 62.02 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.495 -0.642 . . . . 0.0 111.495 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.8 mt -103.44 140.82 36.96 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -42.93 96.69 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.247 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -62.57 136.86 96.23 Favored Pre-proline 0 CA--C 1.547 0.86 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.666 -179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . 0.404 ' HG3' ' CZ ' ' A' ' 16' ' ' TYR . 27.5 Cg_exo -60.61 106.61 0.37 Allowed 'Trans proline' 0 N--CA 1.503 2.034 0 C-N-CA 122.267 1.978 . . . . 0.0 111.965 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.507 HG11 HG22 ' A' ' 138' ' ' VAL . 98.5 t -64.72 -42.21 94.36 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.084 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -60.84 -38.9 96.07 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.286 -0.726 . . . . 0.0 111.286 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 26.7 tpt180 -62.37 -41.54 98.7 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 110.523 -0.177 . . . . 0.0 110.523 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 96.9 t -59.92 -43.66 92.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -57.29 -45.35 84.2 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.512 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -65.49 -38.19 89.03 Favored 'General case' 0 C--N 1.333 -0.15 0 O-C-N 123.472 0.483 . . . . 0.0 111.248 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 45.3 mt -61.48 -41.95 98.04 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.466 -179.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 39.9 mt -62.32 -42.78 99.65 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.304 0.377 . . . . 0.0 111.036 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -68.06 -42.57 80.28 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.082 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -64.07 -37.9 89.11 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.724 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.77 -6.71 18.52 Favored Glycine 0 CA--C 1.541 1.698 0 N-CA-C 111.891 -0.484 . . . . 0.0 111.891 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 56.34 28.62 13.72 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.978 0.389 . . . . 0.0 111.643 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -66.63 -39.59 88.36 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 179.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 80.8 p -149.29 161.68 41.55 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.519 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -66.36 -36.88 84.0 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -132.3 146.86 52.29 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.445 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 57.3 t -125.97 135.02 65.15 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.407 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -83.81 177.23 52.3 Favored Glycine 0 N--CA 1.465 0.608 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.464 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -91.16 -34.81 14.88 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.495 -0.353 . . . . 0.0 110.979 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.18 -35.14 91.31 Favored Glycine 0 CA--C 1.53 0.998 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.807 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.79 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -60.94 -59.84 12.57 Favored Pre-proline 0 CA--C 1.546 0.806 0 CA-C-O 118.882 -0.58 . . . . 0.0 110.597 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.79 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 34.2 Cg_exo -54.92 -39.86 88.37 Favored 'Trans proline' 0 N--CA 1.497 1.717 0 C-N-CA 121.86 1.706 . . . . 0.0 111.354 179.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.507 HG22 HG11 ' A' ' 116' ' ' VAL . 93.3 t -63.06 -45.41 98.82 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 24.4 t80 -61.94 -46.78 87.83 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.336 -179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.43 HD13 HG21 ' A' ' 49' ' ' ILE . 32.9 tp -63.64 -40.18 96.23 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.67 -179.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.58 85.28 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.758 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -64.79 -38.62 91.61 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.315 0.385 . . . . 0.0 110.9 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 87.8 t -66.14 -43.7 92.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.205 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 47.4 mt -61.28 -41.42 96.92 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 63.5 tt0 -64.76 -36.6 84.82 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.346 0.404 . . . . 0.0 110.397 179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.417 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 68.6 t80 -60.62 -48.84 79.98 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.481 -179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 46.0 mt -64.39 -40.24 95.41 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.354 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 12.3 m -62.02 -44.93 95.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.74 -41.23 97.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.962 -179.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -68.44 -41.73 79.86 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.074 0.398 . . . . 0.0 112.074 -179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.38 -44.35 98.94 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.365 0 O-C-N 123.283 0.365 . . . . 0.0 110.117 -179.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.06 -40.97 99.28 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.359 0.412 . . . . 0.0 111.737 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -66.51 -45.87 78.11 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.659 0.266 . . . . 0.0 110.709 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.725 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 74.5 mt -64.6 -39.3 93.47 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.38 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . 0.739 ' HB2' HD23 ' A' ' 172' ' ' LEU . . . -60.1 -38.32 82.6 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.19 179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -63.26 -38.52 96.59 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 43.7 m-80 -62.68 -43.82 97.82 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.193 -0.203 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . 0.571 ' HB1' HD23 ' A' ' 174' ' ' LEU . . . -61.08 -41.73 97.19 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.537 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -61.33 -40.84 95.72 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.025 179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -63.22 -39.68 95.31 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.418 179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -61.46 -34.37 75.32 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -93.83 14.12 20.38 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.51 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 67.8 mttm 55.3 50.81 14.19 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.185 0.516 . . . . 0.0 111.288 179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.537 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 98.7 mttt -138.39 124.47 20.19 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.798 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 68.2 p -73.49 -35.1 65.61 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.907 179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -77.83 149.41 34.38 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.124 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 64.5 mt -104.03 131.42 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.344 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.409 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 31.3 pt -129.86 166.65 24.67 Favored Pre-proline 0 CA--C 1.543 0.692 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.218 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 75.4 Cg_exo -50.66 -35.56 47.66 Favored 'Trans proline' 0 N--CA 1.5 1.857 0 C-N-CA 122.272 1.982 . . . . 0.0 112.112 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.7 ttm-85 -61.53 -41.51 97.44 Favored 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 51.3 m170 -66.69 -42.1 87.0 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.292 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.739 HD23 ' HB2' ' A' ' 155' ' ' ALA . 57.6 mt -61.7 -44.4 97.01 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.95 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -67.3 -36.27 81.16 Favored 'General case' 0 N--CA 1.465 0.281 0 O-C-N 123.357 0.411 . . . . 0.0 110.721 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.571 HD23 ' HB1' ' A' ' 158' ' ' ALA . 13.6 tp -61.94 -44.8 96.02 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.926 -179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.725 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -67.02 -41.51 86.5 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.312 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.414 HD13 HD13 ' A' ' 186' ' ' LEU . 97.3 mt -63.68 -44.08 98.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.333 -179.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -65.83 -35.06 79.62 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.362 0.414 . . . . 0.0 111.374 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -77.26 -17.39 58.44 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.146 0.279 . . . . 0.0 111.541 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -103.0 113.54 27.09 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -62.44 -36.38 82.22 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.533 -179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -65.25 -49.02 71.22 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 -178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.62 -39.46 93.75 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 123.303 0.377 . . . . 0.0 110.218 179.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.76 -38.64 85.91 Favored 'General case' 0 CA--C 1.53 0.194 0 O-C-N 123.623 0.577 . . . . 0.0 109.713 179.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -61.79 -45.83 92.19 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.065 179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.6 tp -68.26 -40.67 81.83 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.743 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.44 HD21 ' HE1' ' A' ' 41' ' ' PHE . 75.3 mt -92.89 20.4 6.66 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.129 -178.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.0 -34.28 71.88 Favored Glycine 0 CA--C 1.529 0.928 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -96.21 8.42 43.91 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 111.803 0.297 . . . . 0.0 111.803 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 59.2 t -127.53 130.2 70.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 33.2 m -124.34 127.56 47.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.712 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 60.4 mt -111.63 70.66 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.918 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -122.63 151.53 41.38 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.708 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -116.79 130.07 56.49 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.138 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.82 0 CA-C-O 117.994 -1.448 . . . . 0.0 111.011 -179.875 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.719 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -101.36 133.02 46.6 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.789 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.46 HD12 HD12 ' B' ' 67' ' ' LEU . 40.8 pt -131.34 161.67 40.69 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.992 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 73.2 m-85 -112.52 143.33 43.85 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 109.914 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 46.8 t -120.06 127.41 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -112.7 152.19 29.33 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.373 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 49.9 p -123.03 162.73 21.81 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.343 -179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 95.9 mt -63.61 -21.06 66.16 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 123.343 0.402 . . . . 0.0 110.952 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 48.2 p -71.46 -24.28 61.98 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 120.091 -1.631 . . . . 0.0 111.555 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.82 13.02 24.8 Favored Glycine 0 C--N 1.358 1.767 0 O-C-N 121.08 -1.013 . . . . 0.0 112.529 -174.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -91.4 150.9 21.05 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 117.131 0.466 . . . . 0.0 110.16 179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 27.2 m -132.02 127.72 36.8 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.395 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.478 HD12 ' CD ' ' B' ' 33' ' ' LYS . 48.5 pt -126.72 137.64 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.212 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -87.79 129.54 35.15 Favored 'General case' 0 N--CA 1.435 -1.206 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 -178.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 21.1 tp -126.6 139.0 53.52 Favored 'General case' 0 C--N 1.353 0.743 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.572 -177.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -108.49 115.79 30.77 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.259 179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.8 m -139.58 162.25 26.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.155 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.81 148.88 35.39 Favored Pre-proline 0 CA--C 1.546 0.795 0 O-C-N 123.208 0.318 . . . . 0.0 110.64 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.85 -36.09 81.75 Favored 'Trans proline' 0 N--CA 1.503 2.071 0 C-N-CA 122.424 2.083 . . . . 0.0 112.329 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.9 m -81.37 -11.41 59.3 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 116.09 -0.504 . . . . 0.0 112.263 -179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -63.22 144.83 56.59 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 120.581 0.229 . . . . 0.0 110.612 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 62.4 p -81.98 159.94 23.43 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.109 -179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.8 mm -65.52 -42.28 92.78 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.672 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -55.99 -38.44 70.43 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.33 0.394 . . . . 0.0 110.284 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -64.09 -40.3 95.94 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.227 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 63.5 t -61.36 -43.1 96.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.782 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.9 -38.7 79.5 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.58 97.79 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.299 0.375 . . . . 0.0 110.294 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -64.13 -40.26 95.79 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.797 179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.473 HG22 HE22 ' B' ' 41' ' ' GLN . 88.2 mt -63.5 -41.19 91.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -54.21 -38.49 65.73 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 109.4 -0.592 . . . . 0.0 109.4 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -65.78 -39.38 90.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.936 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.478 ' CD ' HD12 ' B' ' 13' ' ' ILE . 67.9 mttm -77.43 -45.25 26.4 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -178.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -89.08 -40.07 13.2 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.725 1.61 . . . . 0.0 114.27 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.03 23.43 52.19 Favored Glycine 0 C--N 1.352 1.45 0 C-N-CA 124.631 1.11 . . . . 0.0 111.813 -171.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 64.0 mt -98.44 139.47 21.19 Favored Pre-proline 0 CA--C 1.547 0.864 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.069 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_exo -55.87 124.4 16.17 Favored 'Trans proline' 0 N--CA 1.498 1.765 0 C-N-CA 122.032 1.821 . . . . 0.0 112.123 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -54.07 -36.08 83.62 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.4 2.067 . . . . 0.0 112.576 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -65.09 -37.49 87.67 Favored 'General case' 0 N--CA 1.432 -1.355 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -179.033 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -86.27 10.79 13.73 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 122.241 -0.287 . . . . 0.0 111.479 -173.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.473 HE22 HG22 ' B' ' 30' ' ' ILE . 81.9 mt-30 -110.15 136.18 49.78 Favored 'General case' 0 C--N 1.345 0.4 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 tpm_? -114.19 120.65 41.21 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 71.3 mt -103.95 136.22 44.01 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 109.506 -0.554 . . . . 0.0 109.506 179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.554 HD11 HD12 ' C' ' 676' ' ' LEU . 93.4 mt -130.41 138.09 54.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 123.494 0.496 . . . . 0.0 110.652 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -123.59 126.78 47.27 Favored 'General case' 0 C--O 1.233 0.214 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 178.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.92 26.68 10.08 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.598 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.31 14.6 76.19 Favored Glycine 0 CA--C 1.535 1.307 0 CA-C-N 116.485 -0.325 . . . . 0.0 112.374 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.403 ' C ' HG23 ' B' ' 44' ' ' ILE . 52.9 mtmt -114.06 135.2 54.28 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 117.055 0.427 . . . . 0.0 109.924 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -62.94 151.57 39.08 Favored 'General case' 0 CA--C 1.518 -0.26 0 O-C-N 123.427 0.454 . . . . 0.0 110.356 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 73.4 mt -118.21 128.2 54.47 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.711 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -85.23 142.16 29.61 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.224 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -62.49 -42.36 99.43 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.596 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -70.76 -13.97 72.35 Favored Glycine 0 CA--C 1.533 1.159 0 O-C-N 123.543 0.527 . . . . 0.0 113.053 -178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 26.3 mmt85 -90.37 157.04 17.82 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 117.106 0.453 . . . . 0.0 110.821 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 68.2 p -103.44 167.34 9.87 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.463 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 77.7 mt -62.36 -40.69 97.24 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.254 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 80.0 p -57.76 -29.32 64.71 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.584 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.53 -34.32 75.33 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.181 0.301 . . . . 0.0 111.267 -179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -92.04 11.28 25.83 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 57.91 35.46 25.37 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 120.975 0.417 . . . . 0.0 111.166 179.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.0 mt -74.88 130.77 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.331 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -108.28 -179.58 3.92 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.948 -179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -56.55 141.27 43.63 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.741 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 58.09 82.93 0.12 Allowed 'General case' 0 C--O 1.238 0.487 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.301 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 9.4 m -125.56 152.78 44.6 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.119 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.2 m -105.65 121.93 45.01 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.46 HD12 HD12 ' B' ' 3' ' ' ILE . 72.8 mt -114.05 123.81 50.59 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.905 179.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -84.73 144.2 28.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.905 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.9 tp -110.27 126.38 54.11 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-O 121.24 0.543 . . . . 0.0 111.725 -177.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.631 ' CG2' ' HB1' ' C' ' 673' ' ' ALA . 16.4 t -131.82 164.73 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.444 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.483 ' N ' HG12 ' B' ' 70' ' ' VAL . 16.9 tp -97.73 117.4 31.94 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 111.693 0.257 . . . . 0.0 111.693 -178.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 75.1 ttt180 -85.87 130.5 34.53 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.533 HD12 ' HB3' ' C' ' 680' ' ' PHE . 71.4 mt -115.86 108.12 15.88 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.961 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 55.8 mmt-85 -140.31 158.78 43.5 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.756 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.68 142.59 38.77 Favored Glycine 0 C--N 1.337 0.598 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.612 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 -179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.242 0 N-CA-C 109.577 -1.409 . . . . 0.0 109.577 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 87.7 m-70 -59.42 -42.02 90.87 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.639 0.257 . . . . 0.0 110.794 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 96.3 mmm -82.17 143.2 31.58 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.741 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -90.63 -59.82 0.23 Allowed Pre-proline 0 CA--C 1.55 0.954 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -61.91 -30.17 83.39 Favored 'Trans proline' 0 N--CA 1.507 2.291 0 C-N-CA 122.364 2.043 . . . . 0.0 113.003 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.405 HG12 ' CE ' ' C' ' 659' ' ' MET . 55.2 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.466 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 50.9 mt -61.12 -43.5 98.78 Favored 'General case' 0 N--CA 1.464 0.232 0 O-C-N 123.255 0.347 . . . . 0.0 110.745 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 91.7 mtm-85 -64.53 -40.6 95.9 Favored 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.196 0.31 . . . . 0.0 110.747 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.97 -38.5 82.82 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.009 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.466 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 73.6 mtm -65.41 -37.51 87.17 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.411 0.444 . . . . 0.0 110.89 -179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.83 -44.54 95.86 Favored 'General case' 0 N--CA 1.465 0.285 0 O-C-N 123.142 0.276 . . . . 0.0 110.635 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -65.66 -44.69 85.52 Favored 'General case' 0 C--O 1.235 0.314 0 O-C-N 123.415 0.447 . . . . 0.0 110.905 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -65.57 -39.63 91.87 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.077 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 35.6 mt -62.86 -38.71 91.89 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 123.32 0.387 . . . . 0.0 110.995 -179.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -63.74 -43.3 96.91 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.289 0.368 . . . . 0.0 110.955 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -72.86 -41.2 65.02 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.041 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -64.41 -46.03 85.02 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.336 -179.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -66.17 -34.53 78.25 Favored 'General case' 0 C--O 1.232 0.183 0 O-C-N 123.454 0.471 . . . . 0.0 110.979 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -59.73 -46.3 89.55 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -68.57 -34.54 76.0 Favored 'General case' 0 C--O 1.227 -0.132 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.46 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -65.6 -38.55 89.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.312 0.383 . . . . 0.0 111.055 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -64.13 -46.99 81.68 Favored 'General case' 0 C--O 1.235 0.34 0 O-C-N 123.345 0.403 . . . . 0.0 110.045 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.497 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.3 tm? -67.23 -41.52 85.53 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.631 ' HB1' ' CG2' ' B' ' 70' ' ' VAL . . . -62.57 -38.68 91.03 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.826 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 19.4 tp -61.16 -39.93 91.97 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.945 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -62.38 -43.57 98.52 Favored 'General case' 0 C--O 1.231 0.097 0 O-C-N 123.377 0.423 . . . . 0.0 110.306 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.554 HD12 HD11 ' B' ' 44' ' ' ILE . 63.6 mt -66.86 -42.79 85.1 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 68.6 tp60 -60.48 -42.61 96.61 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.925 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -70.77 -43.12 69.42 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.538 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 67.2 mtm -65.19 -43.37 91.85 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.295 -179.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.533 ' HB3' HD12 ' B' ' 73' ' ' LEU . 17.2 m-85 -62.2 -42.16 99.03 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.506 -179.723 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -67.1 -35.07 79.0 Favored 'General case' 0 CA--C 1.529 0.158 0 O-C-N 123.499 0.5 . . . . 0.0 110.495 178.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -63.82 -38.11 89.89 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.295 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -61.63 -23.41 66.02 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.543 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' C' ' 685' ' ' ARG . 50.5 mmm-85 -54.38 -53.83 48.67 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.699 -179.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' C' ' 684' ' ' ARG . 55.0 ttt85 162.4 -33.75 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.023 0 C-N-CA 123.672 0.789 . . . . 0.0 110.847 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 1.1 m 72.34 52.6 0.18 Allowed 'General case' 0 N--CA 1.477 0.884 0 CA-C-O 121.067 0.461 . . . . 0.0 110.192 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.58 -45.78 94.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.938 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 73.9 m -138.79 163.01 33.34 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.384 0.428 . . . . 0.0 111.02 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -64.34 156.89 27.69 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.456 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 87.2 mtm-85 -90.9 58.53 3.84 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.773 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -62.38 -44.79 95.63 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.076 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 75.01 -179.22 45.37 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 35.3 t -155.26 154.62 32.43 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.571 0.224 . . . . 0.0 110.664 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 35.1 m -114.15 37.05 0.73 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.418 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -95.27 107.87 20.0 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -85.32 -67.33 0.81 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.218 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.473 ' OH ' HG22 ' A' ' 20' ' ' VAL . 30.3 m-85 -143.05 143.41 31.86 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.162 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 61.2 mt -72.24 147.87 46.06 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.104 -179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 75.7 mt -138.81 132.77 31.12 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.431 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . 0.527 ' NH1' HD11 ' A' ' 82' ' ' LEU . 94.0 mtm-85 -65.34 -34.56 78.61 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.772 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 47.3 t -59.58 -43.55 93.61 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.893 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 32.7 t -142.31 135.17 28.44 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.814 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -89.51 121.73 32.01 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.633 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 95.6 mmm -62.03 -42.04 98.75 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.591 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -67.88 142.36 56.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.542 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 73.44 31.27 61.19 Favored Glycine 0 CA--C 1.529 0.948 0 N-CA-C 111.503 -0.639 . . . . 0.0 111.503 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -124.66 143.16 50.89 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 120.627 0.251 . . . . 0.0 110.485 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.089 -0.958 . . . . 0.0 110.466 179.765 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -78.17 170.13 17.12 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.587 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.452 ' OE1' HD13 ' A' ' 122' ' ' LEU . 92.5 mt-10 -63.46 131.41 48.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 109.87 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 40.8 t -111.62 94.25 4.87 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.455 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -103.99 18.38 22.14 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.596 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.464 ' O ' HG12 ' A' ' 17' ' ' VAL . 78.3 p -58.41 -41.83 85.84 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.995 0.426 . . . . 0.0 110.446 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.2 mm -69.39 -42.31 81.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.83 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -63.8 -43.27 96.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.983 -0.553 . . . . 0.0 112.032 -179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 14' ' ' SER . 11.5 p -62.56 -36.05 73.16 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -57.23 -42.88 82.24 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -60.69 -41.39 95.07 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.766 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.498 HG13 ' CE2' ' C' ' 697' ' ' TYR . 94.2 t -60.96 -43.51 96.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.579 ' HA ' HG12 ' A' ' 24' ' ' VAL . 32.0 tp -60.25 -37.61 80.94 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.934 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -63.63 -37.48 87.49 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.811 -179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -81.43 -35.38 30.72 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.064 -178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.579 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.4 p -78.2 -36.18 20.82 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.499 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.662 -178.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -169.59 90.49 0.56 Allowed Pre-proline 0 CA--C 1.547 0.847 0 O-C-N 123.417 0.448 . . . . 0.0 110.265 -179.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -53.68 -37.6 83.96 Favored 'Trans proline' 0 N--CA 1.501 1.959 0 C-N-CA 122.481 2.121 . . . . 0.0 112.838 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -62.34 -41.88 98.94 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.428 0.455 . . . . 0.0 111.771 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.466 ' O ' HD21 ' A' ' 21' ' ' LEU . 71.9 p -73.94 134.72 43.18 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.32 0.388 . . . . 0.0 110.802 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.09 171.66 14.29 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 tt -138.37 140.68 39.41 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.775 0.321 . . . . 0.0 110.224 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.7 p -85.93 161.49 19.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.369 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.5 m -62.1 -35.89 80.06 Favored 'General case' 0 CA--C 1.496 -1.097 0 C-N-CA 123.737 0.815 . . . . 0.0 109.725 -178.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -67.34 -39.26 85.76 Favored 'General case' 0 C--N 1.346 0.451 0 C-N-CA 123.29 0.636 . . . . 0.0 110.343 178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.34 -35.21 79.64 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 123.504 0.503 . . . . 0.0 110.852 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.0 mtt -62.27 -41.86 98.83 Favored 'General case' 0 C--O 1.234 0.248 0 O-C-N 123.401 0.438 . . . . 0.0 109.875 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -60.78 -39.77 97.22 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 44.7 mm -61.44 -44.92 99.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 179.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.483 ' CE ' HG23 ' A' ' 148' ' ' THR . 97.3 mmm -64.4 -39.58 94.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.081 179.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -62.89 -43.23 99.36 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.28 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -61.79 -42.14 98.62 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.364 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.467 ' CE2' HD21 ' A' ' 186' ' ' LEU . 85.7 t80 -62.26 -42.77 99.62 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.932 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 38' ' ' MET . 71.6 t -62.11 -43.54 97.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.772 -179.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -61.93 -42.79 99.5 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.037 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -65.23 -45.27 85.33 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 123.383 0.427 . . . . 0.0 111.48 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.05 -41.84 93.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.907 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.482 ' CD2' HD21 ' A' ' 140' ' ' LEU . 69.6 t80 -56.32 -46.36 79.91 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.706 -179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -65.41 -42.79 92.16 Favored 'General case' 0 C--O 1.233 0.217 0 O-C-N 123.288 0.368 . . . . 0.0 111.885 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -63.62 -44.35 94.2 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.277 0.361 . . . . 0.0 111.562 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.431 HG21 ' CD1' ' A' ' 140' ' ' LEU . 89.4 mt -65.36 -43.68 94.82 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 O-C-N 123.282 0.364 . . . . 0.0 110.128 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.52 -40.86 98.15 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.248 -179.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -67.48 -43.53 86.45 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.485 -0.646 . . . . 0.0 111.485 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.409 ' HB3' ' HB1' ' A' ' 73' ' ' ALA . 37.5 tp10 -67.59 -40.66 84.81 Favored 'General case' 0 N--CA 1.448 -0.564 0 N-CA-C 110.483 -0.192 . . . . 0.0 110.483 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.48 -40.76 89.5 Favored 'General case' 0 C--O 1.231 0.126 0 O-C-N 123.474 0.484 . . . . 0.0 110.476 179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 85.9 p -60.48 -42.78 96.96 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.574 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -60.59 -40.21 90.95 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.353 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD12 ' HB2' ' A' ' 73' ' ' ALA . 62.8 mt -62.97 -37.72 88.26 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.54 179.478 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.661 ' HB2' ' OE1' ' A' ' 69' ' ' GLU . . . -61.58 -40.52 95.04 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.321 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -62.6 -43.0 99.91 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.433 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.0 m-85 -66.83 -38.94 87.4 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.77 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -89.89 6.13 43.27 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.297 0.48 . . . . 0.0 112.297 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 54.82 29.2 11.49 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.875 0.369 . . . . 0.0 111.337 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.492 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 80.0 mtp85 -92.45 132.21 36.97 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.414 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 12.9 m -97.84 -7.19 30.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.938 179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 24.0 m -123.85 128.63 49.78 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.678 -0.237 . . . . 0.0 110.662 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.526 ' HA ' ' OE2' ' A' ' 69' ' ' GLU . 97.5 mt -80.21 136.31 23.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 178.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.558 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 82.5 p -136.02 176.57 8.57 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.895 0.747 . . . . 0.0 111.535 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.3 p -59.45 -44.88 92.88 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.876 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.9 mtt-85 -62.69 -38.24 89.61 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.175 0.297 . . . . 0.0 110.891 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.661 ' OE1' ' HB2' ' A' ' 57' ' ' ALA . 43.6 tt0 -65.12 -46.89 79.13 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.114 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 82.3 mt -64.48 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.589 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -54.15 -42.71 69.87 Favored 'General case' 0 C--O 1.235 0.324 0 O-C-N 123.218 0.324 . . . . 0.0 110.808 -178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.4 m -64.2 -47.08 81.11 Favored 'General case' 0 C--O 1.235 0.338 0 O-C-N 123.336 0.397 . . . . 0.0 110.763 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.409 ' HB1' ' HB3' ' A' ' 52' ' ' GLU . . . -65.6 -39.29 91.4 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.045 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.4 t -65.43 -43.14 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.369 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -59.93 -39.33 85.11 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 123.252 0.345 . . . . 0.0 111.261 -178.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 73.7 mt -74.16 -33.09 63.39 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.365 0.506 . . . . 0.0 112.365 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 75.0 mt -82.19 -37.71 25.69 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.406 HD21 HD21 ' A' ' 147' ' ' LEU . 0.4 OUTLIER -87.87 150.34 47.71 Favored Pre-proline 0 CA--C 1.547 0.857 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -178.253 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -61.72 163.82 17.66 Favored 'Trans proline' 0 N--CA 1.501 1.947 0 C-N-CA 122.351 2.034 . . . . 0.0 111.289 178.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.85 -46.59 93.34 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.983 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -65.49 -48.03 74.0 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.551 HD21 HH11 ' C' ' 700' ' ' ARG . 4.4 mm? -67.08 -38.84 86.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.629 -179.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.655 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.37 -37.97 85.3 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.222 0.452 . . . . 0.0 112.222 -179.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -58.18 -48.47 80.2 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.806 -0.179 . . . . 0.0 111.166 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.438 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 78.1 m80 -71.53 -37.28 71.18 Favored 'General case' 0 C--O 1.239 0.505 0 O-C-N 123.267 0.354 . . . . 0.0 111.406 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.19 -36.41 79.81 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.299 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 83' ' ' ALA . 68.9 t -61.89 -42.76 95.9 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 O-C-N 123.332 0.395 . . . . 0.0 110.334 -179.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t -56.48 -44.15 80.35 Favored 'General case' 0 N--CA 1.428 -1.572 0 C-N-CA 124.564 1.146 . . . . 0.0 108.946 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 17.0 mt-10 -70.96 -46.55 62.18 Favored 'General case' 0 C--O 1.233 0.215 0 C-N-CA 125.077 1.351 . . . . 0.0 111.744 -174.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -69.64 -43.23 68.89 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.016 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 m -63.88 -47.66 79.78 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.442 0.163 . . . . 0.0 110.839 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 57.5 mttp -66.77 -36.56 82.7 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.155 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.35 -40.99 83.69 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 82.6 t -69.19 -41.99 81.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 N-CA-C 109.131 -0.692 . . . . 0.0 109.131 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.9 m -61.27 -40.87 95.7 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.367 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.7 mtmt -59.23 -37.54 77.79 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.287 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -59.81 -48.25 82.43 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 15.4 m -68.49 -36.81 79.46 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.004 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.6 t -54.51 -33.97 60.85 Favored 'General case' 0 CA--C 1.492 -1.268 0 C-N-CA 125.391 1.476 . . . . 0.0 108.872 -176.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 6.1 m -87.74 117.76 26.79 Favored 'General case' 0 C--N 1.345 0.394 0 C-N-CA 123.995 0.918 . . . . 0.0 110.903 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.81 -39.54 83.95 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.569 179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.0 t -149.82 145.34 26.53 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.486 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.443 ' HB3' ' CG ' ' A' ' 109' ' ' ARG . . . -148.41 -176.06 5.16 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.457 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 60.3 mmtt -99.89 -45.15 5.8 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 30.8 p -127.96 163.12 25.19 Favored 'General case' 0 CA--C 1.528 0.13 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -66.28 -39.59 89.51 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.298 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.2 m -61.4 -42.07 98.13 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.819 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 84.9 p -63.4 -36.68 84.53 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.095 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.443 ' CG ' ' HB3' ' A' ' 103' ' ' ALA . 95.5 mtt-85 -61.61 -36.47 80.8 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.778 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.413 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -81.8 -56.95 3.66 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.24 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 109.57 25.47 5.46 Favored Glycine 0 CA--C 1.535 1.282 0 N-CA-C 111.542 -0.623 . . . . 0.0 111.542 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 112' ' ' LEU . 8.3 mp -105.89 138.99 41.14 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 120.556 0.217 . . . . 0.0 110.696 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.97 -41.08 95.77 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.818 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -62.82 132.25 94.74 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.675 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.3 105.2 0.16 Allowed 'Trans proline' 0 N--CA 1.502 1.991 0 C-N-CA 122.161 1.907 . . . . 0.0 112.236 -179.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.456 HG11 HG22 ' A' ' 138' ' ' VAL . 95.4 t -65.84 -42.79 92.9 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.353 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -55.57 -40.88 79.98 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.705 -0.558 . . . . 0.0 111.705 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.15 -36.85 85.4 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.346 0.117 . . . . 0.0 111.063 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.72 -44.37 98.33 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 109.966 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -60.1 -46.43 89.63 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.778 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 96.1 mtm-85 -66.95 -38.49 86.23 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.043 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.452 HD13 ' OE1' ' A' ' 11' ' ' GLU . 27.0 mt -62.57 -40.52 97.1 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.232 -179.378 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 63.2 mt -61.2 -44.62 97.0 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.364 0.415 . . . . 0.0 110.531 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -65.5 -38.91 91.08 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.717 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.32 -41.21 98.9 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.282 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.74 -6.6 30.81 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 121.358 -0.448 . . . . 0.0 112.002 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 56.2 28.78 13.68 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-N 116.85 0.325 . . . . 0.0 111.465 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -64.41 -40.23 95.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.217 178.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 24.6 p -145.98 159.19 43.6 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.559 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -65.67 -36.17 82.88 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.734 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -131.2 150.31 52.2 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.987 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 59.1 t -127.73 133.17 68.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -85.49 -178.49 50.51 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -94.95 -37.64 11.07 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 115.463 -0.368 . . . . 0.0 110.771 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -68.74 -19.3 73.1 Favored Glycine 0 CA--C 1.535 1.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.861 179.238 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -75.33 -58.6 1.45 Allowed Pre-proline 0 CA--C 1.54 0.586 0 CA-C-O 118.914 -0.565 . . . . 0.0 109.996 -179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 33.7 Cg_exo -55.2 -38.12 93.84 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 121.755 1.637 . . . . 0.0 111.037 178.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.456 HG22 HG11 ' A' ' 116' ' ' VAL . 95.0 t -64.31 -47.47 89.54 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -61.37 -44.46 97.13 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.866 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.482 HD21 ' CD2' ' A' ' 46' ' ' PHE . 47.4 tp -62.73 -42.17 99.53 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.302 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.438 ' HB3' HD22 ' A' ' 112' ' ' LEU . . . -61.43 -36.2 79.71 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.789 -179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.408 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -66.43 -40.47 89.52 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.019 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 92.4 t -62.47 -46.21 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.327 -0.397 . . . . 0.0 109.983 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.71 -38.94 93.0 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.811 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -60.25 -45.69 92.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.329 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 66.2 t80 -61.12 -45.83 93.08 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.415 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.406 HD21 HD21 ' A' ' 78' ' ' LEU . 69.4 mt -62.0 -43.5 98.7 Favored 'General case' 0 C--O 1.233 0.235 0 O-C-N 123.409 0.443 . . . . 0.0 110.839 -179.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . 0.483 HG23 ' CE ' ' A' ' 38' ' ' MET . 9.3 m -63.27 -44.97 93.59 Favored 'General case' 0 C--O 1.234 0.261 0 O-C-N 123.442 0.464 . . . . 0.0 110.628 -179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.49 -40.3 95.41 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.549 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -66.83 -42.72 85.34 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.556 -179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 95.7 mt -64.17 -42.59 96.02 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.0 mt -62.36 -41.2 98.43 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.449 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -46.19 79.04 Favored 'General case' 0 C--O 1.236 0.363 0 O-C-N 123.125 0.266 . . . . 0.0 110.544 -179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.55 -39.01 91.24 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.397 179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -62.73 -38.15 89.35 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.383 179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.96 -40.56 99.05 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -61.92 -44.23 97.2 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 121.22 -0.192 . . . . 0.0 110.771 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.48 90.63 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.106 179.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.56 90.05 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.241 179.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 85.0 mtt85 -62.11 -37.6 85.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.197 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -64.69 -21.83 66.83 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -102.48 13.92 33.3 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.526 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 55.52 39.99 31.11 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.975 0.417 . . . . 0.0 111.186 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -133.63 138.11 45.76 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.736 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 16.5 p -90.17 -29.2 18.41 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.234 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 55.3 ttp180 -81.36 136.57 35.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.535 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 70.7 mt -89.1 130.06 39.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 109.608 -0.516 . . . . 0.0 109.608 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 22.4 pt -123.91 164.92 26.27 Favored Pre-proline 0 N--CA 1.471 0.581 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.007 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -50.82 -35.88 50.2 Favored 'Trans proline' 0 N--CA 1.5 1.854 0 C-N-CA 122.259 1.973 . . . . 0.0 112.125 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -61.4 -42.3 98.51 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -65.25 -40.93 94.62 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.734 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.47 -42.49 98.85 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 67.6 tp60 -64.14 -43.21 95.92 Favored 'General case' 0 CA--C 1.531 0.249 0 O-C-N 123.315 0.385 . . . . 0.0 110.44 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 72.0 mt -62.75 -41.52 99.24 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.178 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . . . . . . . . . . . -64.16 -41.33 97.2 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.155 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.621 HD13 HD13 ' A' ' 186' ' ' LEU . 93.9 mt -64.46 -44.5 97.01 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 O-C-N 123.314 0.384 . . . . 0.0 110.253 -179.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -70.26 -29.19 65.91 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.429 0.456 . . . . 0.0 111.49 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -76.78 -16.77 59.37 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 123.151 0.282 . . . . 0.0 111.508 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -110.24 115.58 29.95 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 109.886 -0.413 . . . . 0.0 109.886 179.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 90.8 mt-10 -61.56 -39.93 92.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.491 -179.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . 0.453 ' HB3' HD23 ' A' ' 82' ' ' LEU . 53.7 mp0 -62.16 -47.51 84.2 Favored 'General case' 0 C--O 1.238 0.455 0 O-C-N 123.322 0.389 . . . . 0.0 111.448 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 25.0 mt -63.83 -37.23 86.62 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.401 179.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -59.06 -38.88 80.44 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.201 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -62.52 -45.35 93.4 Favored 'General case' 0 N--CA 1.467 0.425 0 O-C-N 123.27 0.356 . . . . 0.0 110.232 179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 33.0 tp -66.87 -39.48 87.53 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 123.489 0.493 . . . . 0.0 110.519 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.621 HD13 HD13 ' A' ' 176' ' ' ILE . 65.1 mt -97.23 19.07 13.66 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.375 0.509 . . . . 0.0 112.375 -178.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -58.91 -36.67 88.73 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 85.1 mtt85 -100.37 11.84 38.52 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 64.7 t -126.46 131.12 71.7 Favored 'Isoleucine or valine' 0 C--N 1.341 0.238 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 47.8 m -122.52 131.41 53.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.461 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 28.3 mm -75.67 131.11 35.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.19 -179.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -54.57 -46.68 73.75 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.529 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -112.35 127.48 56.01 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.982 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.971 -1.46 . . . . 0.0 111.211 -179.828 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.415 ' HG3' ' HA ' ' B' ' 63' ' ' LYS . 27.4 ttp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -116.38 139.79 50.04 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.309 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.54 HD12 HD12 ' B' ' 67' ' ' LEU . 42.1 pt -134.38 159.89 41.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.953 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -113.03 140.45 47.82 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 47.4 t -121.97 127.99 75.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 47.6 mttp -113.61 150.66 32.79 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.289 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 78.4 p -116.46 164.36 14.68 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.719 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 79.5 mt -68.42 -23.57 64.65 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 72.8 p -70.51 -23.2 62.61 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 121.042 -1.036 . . . . 0.0 111.527 177.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.31 15.04 20.67 Favored Glycine 0 C--N 1.353 1.527 0 O-C-N 121.345 -0.847 . . . . 0.0 113.209 -172.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -92.48 130.17 38.21 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 117.167 0.483 . . . . 0.0 110.227 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 28.3 m -114.56 124.12 51.07 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.924 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.552 HD12 ' CD ' ' B' ' 33' ' ' LYS . 45.1 pt -127.55 133.88 66.81 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.815 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.4 t -88.65 133.6 34.15 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-O 121.505 0.669 . . . . 0.0 109.332 -179.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.493 HD11 ' HD3' ' B' ' 29' ' ' LYS . 13.1 tp -130.66 132.82 45.65 Favored 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.38 0.672 . . . . 0.0 110.554 -175.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -107.41 114.65 28.81 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.432 0.457 . . . . 0.0 110.113 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 32.1 m -140.48 164.83 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.191 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -97.92 156.76 35.6 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.242 0.338 . . . . 0.0 110.311 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -62.89 -25.97 74.41 Favored 'Trans proline' 0 N--CA 1.502 1.971 0 C-N-CA 122.326 2.017 . . . . 0.0 112.365 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 69.3 m -85.12 -8.94 58.41 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 116.148 -0.478 . . . . 0.0 112.142 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -67.66 143.9 55.76 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.575 0.226 . . . . 0.0 110.587 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.6 p -81.46 158.25 24.62 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.935 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 36.1 mm -65.24 -41.63 92.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.864 179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -55.3 -41.22 72.04 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.276 -179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -63.47 -39.77 95.34 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.34 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 65.5 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 C--O 1.233 0.232 0 CA-C-N 115.841 -0.618 . . . . 0.0 109.477 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -59.7 -35.34 74.29 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.73 89.37 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.493 ' HD3' HD11 ' B' ' 15' ' ' LEU . 85.4 mttt -63.61 -37.98 89.4 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.4 HG22 HE22 ' B' ' 41' ' ' GLN . 43.8 mm -62.47 -42.8 97.12 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.636 179.624 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -55.44 -38.36 68.92 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -64.38 -42.11 96.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.389 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.552 ' CD ' HD12 ' B' ' 13' ' ' ILE . 98.4 mttt -78.6 -43.7 25.78 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -86.87 -39.72 15.56 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 125.891 1.677 . . . . 0.0 113.862 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.81 23.71 41.1 Favored Glycine 0 C--N 1.351 1.384 0 C-N-CA 124.49 1.043 . . . . 0.0 111.853 -170.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 75.0 mt -104.92 137.13 19.12 Favored Pre-proline 0 CA--C 1.545 0.787 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -61.05 135.3 58.05 Favored 'Trans proline' 0 N--CA 1.498 1.791 0 C-N-CA 121.972 1.781 . . . . 0.0 112.222 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.38 -25.68 74.24 Favored 'Trans proline' 0 N--CA 1.504 2.096 0 C-N-CA 122.257 1.971 . . . . 0.0 112.614 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -64.99 -34.26 78.01 Favored 'General case' 0 N--CA 1.435 -1.218 0 CA-C-O 122.714 1.245 . . . . 0.0 108.399 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -97.27 12.23 33.71 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 119.584 -1.947 . . . . 0.0 111.522 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.4 HE22 HG22 ' B' ' 30' ' ' ILE . 81.2 mt-30 -116.69 131.04 57.05 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 12.2 ttm-85 -113.35 128.43 56.46 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 76.1 mt -105.1 140.79 37.75 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.574 HD11 HD12 ' C' ' 676' ' ' LEU . 97.8 mt -132.0 141.59 45.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.5 -178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -121.83 123.19 41.19 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.043 178.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 53.74 29.73 10.02 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.804 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.74 15.32 75.82 Favored Glycine 0 CA--C 1.537 1.458 0 CA-C-N 116.493 -0.321 . . . . 0.0 112.317 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.446 ' O ' HG23 ' B' ' 44' ' ' ILE . 57.5 mtmt -109.67 134.15 52.3 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 117.059 0.43 . . . . 0.0 110.195 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.18 139.93 58.46 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.4 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 87.4 mt -110.13 125.68 53.26 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.037 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 37.9 tp10 -80.87 136.73 36.13 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.044 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -63.91 -39.42 94.14 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.779 -179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.56 -10.72 84.68 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.994 -179.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -95.16 160.49 14.53 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 117.212 0.506 . . . . 0.0 110.786 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -101.05 169.71 8.76 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.594 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.77 -40.27 94.59 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.413 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 66.2 m -58.43 -32.35 68.61 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.663 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -62.21 -34.29 76.19 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.037 0.21 . . . . 0.0 111.064 -179.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -91.61 13.89 16.65 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.271 0.357 . . . . 0.0 111.9 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 59.38 43.72 16.14 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.006 0.431 . . . . 0.0 111.221 179.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.71 129.55 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.281 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 179.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -117.57 -171.51 2.06 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.892 -179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.415 ' HA ' ' HG3' ' B' ' 1' ' ' MET . 56.4 mtmt -55.41 145.2 23.1 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.275 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 55.91 83.21 0.1 Allowed 'General case' 0 C--O 1.237 0.43 0 O-C-N 123.492 0.495 . . . . 0.0 110.46 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 57.3 m -129.56 152.32 49.21 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.273 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 22.3 m -109.7 121.16 44.58 Favored 'General case' 0 C--O 1.235 0.313 0 O-C-N 123.257 0.348 . . . . 0.0 110.529 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.54 HD12 HD12 ' B' ' 3' ' ' ILE . 65.2 mt -115.35 132.24 56.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.171 179.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -91.99 152.43 20.01 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.943 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 30.5 tp -110.61 130.65 55.51 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.18 0.514 . . . . 0.0 111.784 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.73 HG22 ' HB1' ' C' ' 673' ' ' ALA . 16.2 t -137.07 165.42 27.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 114.954 -1.021 . . . . 0.0 108.609 178.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.491 ' N ' HG12 ' B' ' 70' ' ' VAL . 2.2 mp -107.21 119.09 38.44 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.666 0.27 . . . . 0.0 111.188 -179.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -85.22 134.33 34.15 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' C' ' 680' ' ' PHE . 64.8 mt -122.24 64.43 0.94 Allowed 'General case' 0 CA--C 1.538 0.518 0 CA-C-O 121.04 0.447 . . . . 0.0 111.02 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 -64.77 -42.93 94.72 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.362 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.82 -43.3 0.87 Allowed Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.623 0 N-CA-C 110.666 -0.974 . . . . 0.0 110.666 179.894 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 80.7 m80 -116.53 142.44 46.88 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.667 0.27 . . . . 0.0 110.585 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 67.0 mtt -65.61 -39.76 91.89 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.34 117.08 8.52 Favored Pre-proline 0 CA--C 1.55 0.96 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.923 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.87 -18.86 47.07 Favored 'Trans proline' 0 N--CA 1.504 2.125 0 C-N-CA 122.33 2.02 . . . . 0.0 112.877 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.431 HG12 ' CE ' ' C' ' 659' ' ' MET . 48.8 t -63.49 -41.15 91.68 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.486 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 30.9 mt -60.23 -43.66 95.85 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.926 -179.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 72.8 mtp85 -63.38 -41.83 98.81 Favored 'General case' 0 C--O 1.238 0.47 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.386 179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.54 -37.81 85.79 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.608 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.486 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 72.3 mtm -67.1 -35.48 79.87 Favored 'General case' 0 C--N 1.34 0.19 0 O-C-N 123.443 0.465 . . . . 0.0 110.677 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -61.29 -45.79 92.99 Favored 'General case' 0 CA--C 1.52 -0.184 0 O-C-N 123.222 0.326 . . . . 0.0 110.728 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -63.81 -44.81 92.17 Favored 'General case' 0 C--O 1.241 0.622 0 O-C-N 123.352 0.408 . . . . 0.0 110.945 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -65.33 -38.07 89.03 Favored 'General case' 0 C--N 1.335 -0.054 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.996 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 31.5 mt -63.41 -36.59 84.23 Favored 'General case' 0 N--CA 1.462 0.17 0 O-C-N 123.438 0.461 . . . . 0.0 110.755 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -62.27 -44.71 95.9 Favored 'General case' 0 C--O 1.234 0.267 0 C-N-CA 121.022 -0.271 . . . . 0.0 110.649 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -74.56 -40.2 61.8 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.31 0.382 . . . . 0.0 111.07 179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -64.56 -45.12 88.45 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.309 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 73.7 mt-10 -66.47 -34.27 77.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -59.6 -44.6 93.35 Favored 'General case' 0 C--O 1.234 0.256 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 89.7 m-20 -66.91 -41.67 86.72 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.027 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -64.5 -37.11 86.4 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.451 0.47 . . . . 0.0 111.355 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -63.79 -46.23 86.11 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.534 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.1 tm? -65.79 -42.88 90.21 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.73 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -60.6 -37.69 82.23 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.272 179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 20.0 tp -61.42 -38.55 87.52 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.706 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -62.45 -43.97 97.54 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 123.527 0.517 . . . . 0.0 109.751 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.574 HD12 HD11 ' B' ' 44' ' ' ILE . 64.0 mt -66.13 -41.96 89.77 Favored 'General case' 0 N--CA 1.467 0.384 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 179.051 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 66.8 tp60 -60.49 -43.48 96.94 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.211 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 88.6 mtm180 -70.72 -43.87 68.03 Favored 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.344 0.403 . . . . 0.0 111.805 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 67.4 mtm -63.99 -43.08 96.77 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.105 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.414 ' HB3' HD12 ' B' ' 73' ' ' LEU . 16.9 m-85 -63.69 -41.3 98.15 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.537 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -65.35 -35.05 79.8 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.456 0.473 . . . . 0.0 110.628 178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.96 -40.09 95.63 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.761 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -65.4 -35.26 80.41 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.436 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 70.5 ttt-85 -60.99 -46.92 88.8 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.816 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -135.86 139.31 43.29 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.061 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 17.4 m -58.77 -44.61 90.7 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.351 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 31.4 m -116.83 129.97 72.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.219 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 62.5 m -152.88 123.98 7.51 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -137.92 144.55 41.32 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.426 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 91.0 mtm180 -125.48 140.38 52.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.541 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -64.53 -39.82 94.47 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.476 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 108.01 -26.81 16.1 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 -179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 64.7 p -130.02 100.59 5.49 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 54.1 t -123.91 128.52 74.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.8 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -102.9 107.87 18.85 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.796 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -66.13 -44.83 83.09 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.548 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . 0.498 ' CE2' HG13 ' A' ' 20' ' ' VAL . 17.4 m-30 -97.95 132.96 43.06 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.442 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 61.4 mt -96.99 148.36 23.05 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.954 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 67.8 mt -114.34 126.05 54.57 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.859 -0.609 . . . . 0.0 109.996 179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . 0.551 HH11 HD21 ' A' ' 82' ' ' LEU . 45.7 ttp180 -65.38 -21.1 66.64 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.981 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 15.4 t -60.44 -44.37 95.88 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.624 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 47.6 m -80.96 110.86 16.9 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.816 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -62.64 -42.14 99.43 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 88.4 mmm -107.26 94.89 5.34 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.386 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -118.57 -58.63 1.95 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.776 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -102.85 170.32 19.87 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -119.78 135.56 54.8 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.749 -179.958 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.0 ptp180 . . . . . 0 N--CA 1.495 1.818 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -68.39 130.44 42.88 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.615 -179.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -96.13 143.4 27.29 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.927 179.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 13.5 t -88.13 93.45 9.5 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.975 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -107.07 13.8 27.06 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.149 179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.415 ' O ' HG12 ' A' ' 17' ' ' VAL . 39.1 m -57.42 -41.69 80.91 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 110.492 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.0 mt -68.38 -42.74 84.32 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -63.53 -43.87 95.87 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.91 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.415 HG12 ' O ' ' A' ' 14' ' ' SER . 13.6 p -64.18 -36.62 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.355 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -55.99 -44.52 78.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.977 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.23 -39.81 95.68 Favored 'General case' 0 C--O 1.234 0.262 0 O-C-N 123.508 0.505 . . . . 0.0 110.111 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 40.1 t -61.02 -42.59 93.64 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.489 ' HA ' HG12 ' A' ' 24' ' ' VAL . 33.7 tp -60.03 -36.91 78.31 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.66 -178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.28 -40.04 93.36 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.659 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.85 -36.77 64.91 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.987 -178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.489 HG12 ' HA ' ' A' ' 21' ' ' LEU . 2.9 p -79.33 -30.78 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.677 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.723 -178.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -174.89 91.27 0.3 Allowed Pre-proline 0 CA--C 1.552 1.029 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.575 -179.583 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.11 -35.9 99.04 Favored 'Trans proline' 0 N--CA 1.505 2.168 0 C-N-CA 122.558 2.172 . . . . 0.0 113.077 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -60.0 -50.96 71.69 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.558 ' HA ' HG22 ' A' ' 165' ' ' THR . 68.1 p -75.79 134.85 40.31 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.202 0.314 . . . . 0.0 110.705 -179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -108.03 -178.04 22.13 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.668 -0.973 . . . . 0.0 110.668 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.6 tt -140.2 141.9 32.54 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 120.643 0.259 . . . . 0.0 110.326 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.5 p -81.94 160.36 23.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.531 -0.758 . . . . 0.0 110.419 179.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.5 t -62.99 -38.36 90.83 Favored 'General case' 0 CA--C 1.5 -0.979 0 C-N-CA 124.752 1.221 . . . . 0.0 109.566 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -66.71 -42.04 87.02 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.843 0.857 . . . . 0.0 110.149 -179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.11 -37.09 86.21 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.721 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.1 mtp -62.62 -40.7 97.8 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.331 -0.395 . . . . 0.0 109.985 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.66 -38.48 95.95 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 95.9 mt -64.93 -43.45 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 96.7 mmm -62.24 -37.86 87.04 Favored 'General case' 0 N--CA 1.462 0.15 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.302 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 60.0 m-20 -60.71 -42.04 96.46 Favored 'General case' 0 C--O 1.233 0.205 0 O-C-N 123.421 0.451 . . . . 0.0 110.095 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.4 t -65.25 -39.41 92.64 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.292 178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.479 ' HE2' HD21 ' A' ' 186' ' ' LEU . 91.1 t80 -61.38 -44.07 97.79 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.941 179.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 87.1 t -61.72 -44.83 99.35 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -62.96 -40.64 98.32 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.175 -179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -62.9 -41.66 99.51 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.533 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.496 HG22 HD12 ' A' ' 49' ' ' ILE . 35.8 mm -63.84 -42.21 95.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.325 -0.398 . . . . 0.0 109.956 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD1' HD21 ' A' ' 140' ' ' LEU . 58.1 t80 -57.59 -45.16 85.62 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.766 -179.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -62.81 -45.43 92.64 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -178.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 70.0 mtm-85 -65.07 -46.91 79.24 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.496 HD12 HG22 ' A' ' 45' ' ' ILE . 96.6 mt -64.41 -43.32 97.0 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.26 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -40.83 87.26 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.396 -178.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -64.73 -46.76 88.86 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.668 -0.573 . . . . 0.0 111.668 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -65.96 -41.06 91.69 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.64 -40.12 96.06 Favored 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.42 0.45 . . . . 0.0 110.558 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 25.3 m -61.82 -42.06 98.56 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.595 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -62.84 -41.87 99.51 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.49 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 71.5 mt -64.81 -41.46 95.76 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.718 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.55 85.66 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.553 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -65.53 -41.39 93.13 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 179.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -58.9 -41.34 86.97 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.383 0.427 . . . . 0.0 110.002 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 79.2 m-20 -85.03 6.85 23.6 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 68.7 mttm 53.59 31.66 12.92 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -101.09 133.48 45.55 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.821 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 69.1 m -88.1 -15.6 35.76 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.53 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.6 m -109.61 125.26 52.38 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-O 120.644 0.259 . . . . 0.0 110.768 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.444 HD11 ' OG ' ' A' ' 129' ' ' SER . 94.6 mt -88.79 134.16 29.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.515 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 81.0 p -127.56 175.95 7.86 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.999 -179.629 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.5 p -57.81 -32.79 67.92 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.975 -179.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 69.6 ttp85 -60.43 -45.37 93.88 Favored 'General case' 0 C--O 1.236 0.37 0 O-C-N 123.149 0.281 . . . . 0.0 111.463 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -66.11 -41.94 89.9 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.255 0.347 . . . . 0.0 110.624 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.502 HD11 ' HB1' ' A' ' 136' ' ' ALA . 85.7 mt -64.63 -42.58 95.48 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.202 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -56.27 -44.13 79.43 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 123.148 0.28 . . . . 0.0 111.362 -178.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.7 m -63.43 -45.48 90.71 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 120.816 0.341 . . . . 0.0 110.844 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.4 91.74 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.102 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 70' ' ' ILE . 55.9 t -62.27 -45.39 98.88 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.642 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -63.11 -38.15 90.03 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.245 0.341 . . . . 0.0 111.549 -178.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.2 mt -71.62 -32.22 67.74 Favored 'General case' 0 N--CA 1.465 0.283 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 72.9 mt -86.66 -37.07 18.35 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 -178.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.4 mp -88.83 151.52 47.55 Favored Pre-proline 0 CA--C 1.543 0.709 0 N-CA-C 111.956 0.354 . . . . 0.0 111.956 -178.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_exo -58.22 157.24 26.49 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.355 2.037 . . . . 0.0 111.33 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -53.33 -44.04 65.39 Favored Glycine 0 CA--C 1.534 1.223 0 CA-C-N 116.325 -0.398 . . . . 0.0 112.868 -178.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 -67.92 -47.11 69.67 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 116.949 0.375 . . . . 0.0 111.84 -179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.5 mm? -64.54 -39.59 94.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.524 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.502 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -60.58 -38.54 84.94 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.315 0.384 . . . . 0.0 111.77 -179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -60.5 -46.61 89.5 Favored 'General case' 0 N--CA 1.465 0.279 0 O-C-N 123.215 0.322 . . . . 0.0 111.003 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.415 ' HB2' ' CZ ' ' A' ' 146' ' ' TYR . 92.2 m-70 -67.76 -37.4 82.08 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.423 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.84 -38.92 92.89 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.4 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.502 HG23 ' O ' ' A' ' 83' ' ' ALA . 70.8 t -61.84 -43.57 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 123.331 0.394 . . . . 0.0 110.291 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -62.8 -47.06 85.09 Favored 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 124.13 0.972 . . . . 0.0 110.261 -178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -65.78 -44.98 84.14 Favored 'General case' 0 C--N 1.347 0.47 0 C-N-CA 123.599 0.76 . . . . 0.0 111.442 -178.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -61.63 -39.26 97.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.4 m -61.02 -42.25 98.1 Favored 'General case' 0 C--O 1.232 0.135 0 N-CA-C 110.491 -0.188 . . . . 0.0 110.491 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -59.95 -41.07 91.06 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 123.432 0.458 . . . . 0.0 110.984 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.503 ' HB1' HG12 ' A' ' 138' ' ' VAL . . . -62.57 -43.35 99.02 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.3 0.375 . . . . 0.0 110.935 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 76.0 t -67.16 -45.03 87.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.027 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 40.1 p -64.11 -41.87 97.08 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.998 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -62.85 -36.5 83.46 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.137 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -58.37 -48.17 81.46 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 10.0 m -70.7 -39.68 73.31 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.477 0.485 . . . . 0.0 110.952 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.4 m -64.89 -50.62 65.85 Favored 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 120.497 -1.377 . . . . 0.0 111.381 -177.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 23.5 m -68.41 142.46 55.39 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-O 120.701 0.286 . . . . 0.0 110.895 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -61.97 166.31 4.72 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.497 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 55.8 p -62.77 102.17 0.32 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.559 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -92.26 165.32 13.17 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.471 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -82.18 -12.92 57.85 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.26 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 29.9 m -115.72 130.73 56.96 Favored 'General case' 0 C--N 1.344 0.328 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.53 -43.11 95.07 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.363 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 20.4 m -62.28 -38.59 89.91 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.896 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 67.6 m -61.5 -38.97 89.26 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -64.04 -36.55 84.36 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.92 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.451 ' HB1' HG13 ' A' ' 138' ' ' VAL . . . -87.01 -23.43 25.01 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.658 179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.41 24.86 75.94 Favored Glycine 0 CA--C 1.532 1.131 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 141' ' ' ALA . 49.2 mt -95.23 139.42 31.58 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 110.356 -0.239 . . . . 0.0 110.356 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.03 -45.95 91.3 Favored 'General case' 0 C--O 1.231 0.128 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.6 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -64.48 141.92 98.31 Favored Pre-proline 0 CA--C 1.546 0.807 0 O-C-N 123.528 0.518 . . . . 0.0 110.785 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.78 105.5 0.54 Allowed 'Trans proline' 0 N--CA 1.503 2.039 0 C-N-CA 122.335 2.024 . . . . 0.0 111.943 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.476 HG11 HG22 ' A' ' 138' ' ' VAL . 94.2 t -64.7 -42.56 95.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.606 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.86 -41.54 91.4 Favored Glycine 0 CA--C 1.528 0.845 0 N-CA-C 111.855 -0.498 . . . . 0.0 111.855 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 66.6 mtp85 -64.35 -38.18 90.14 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.36 0.124 . . . . 0.0 111.162 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 66.7 t -61.01 -43.83 96.95 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -58.66 -45.03 90.27 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.379 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.49 -39.87 94.61 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.136 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 62.8 mt -60.59 -42.18 96.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.318 -179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.9 mt -61.79 -44.58 96.6 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.183 0.302 . . . . 0.0 110.755 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 80.3 mtp85 -67.61 -40.87 84.69 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.99 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -63.69 -40.21 96.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.685 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -65.26 -5.3 20.62 Favored Glycine 0 CA--C 1.541 1.689 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 20.0 m120 57.05 31.02 19.21 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 117.012 0.406 . . . . 0.0 111.414 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -64.27 -41.88 96.71 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.517 179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.444 ' OG ' HD11 ' A' ' 65' ' ' ILE . 18.5 m -147.77 165.17 31.35 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.618 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -64.92 -39.58 93.73 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.544 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 63.1 ttm-85 -135.33 148.24 49.4 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.455 -179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.73 136.93 58.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.407 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -82.64 177.46 53.45 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.664 -0.575 . . . . 0.0 111.664 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -92.49 -40.24 10.94 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.481 -0.359 . . . . 0.0 110.919 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -66.18 -34.2 87.47 Favored Glycine 0 CA--C 1.531 1.08 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.747 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.766 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -59.14 -59.94 12.19 Favored Pre-proline 0 CA--C 1.548 0.9 0 CA-C-O 118.941 -0.552 . . . . 0.0 110.321 -179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.766 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 41.0 Cg_exo -55.34 -36.31 93.48 Favored 'Trans proline' 0 N--CA 1.498 1.768 0 C-N-CA 121.827 1.685 . . . . 0.0 111.412 178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 134' ' ' ALA . 90.7 t -62.03 -45.15 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -62.71 -46.7 86.9 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.106 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.408 HD21 ' CD1' ' A' ' 46' ' ' PHE . 34.4 tp -61.63 -40.95 96.68 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.521 -179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.504 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -60.13 -40.59 90.32 Favored 'General case' 0 C--O 1.233 0.213 0 O-C-N 123.417 0.448 . . . . 0.0 110.998 -179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.88 89.32 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.34 0.4 . . . . 0.0 111.251 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 81.3 t -64.39 -42.98 96.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.126 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.39 -40.31 96.07 Favored 'General case' 0 C--O 1.234 0.249 0 O-C-N 123.432 0.457 . . . . 0.0 111.001 -179.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 74.2 tt0 -61.48 -42.05 98.19 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.464 0.477 . . . . 0.0 110.401 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.415 ' CZ ' ' HB2' ' A' ' 85' ' ' HIS . 58.4 t80 -61.72 -46.15 90.89 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.363 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 43.7 mt -61.01 -41.45 96.56 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 123.401 0.438 . . . . 0.0 110.836 -179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 17.2 m -63.27 -44.6 94.65 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.46 0.475 . . . . 0.0 110.712 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.14 93.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.708 -179.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -64.38 -43.0 95.85 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.238 0.337 . . . . 0.0 111.671 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.8 mt -66.32 -42.57 90.95 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 O-C-N 123.272 0.358 . . . . 0.0 110.149 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.4 -40.8 95.7 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 -178.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . 0.41 ' OE2' HG22 ' A' ' 24' ' ' VAL . 48.8 tp10 -66.44 -44.35 83.09 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 123.134 0.271 . . . . 0.0 110.619 -179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.433 ' CB ' ' HB1' ' A' ' 175' ' ' ALA . 66.5 mt -63.19 -41.8 99.23 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.85 -36.55 81.55 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.389 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -62.57 -40.41 99.09 Favored Glycine 0 C--N 1.338 0.69 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -62.21 -45.02 95.24 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 110.291 -0.263 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -66.88 -38.01 85.48 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 109.96 178.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.665 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -56.96 -48.41 78.42 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.918 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 87.4 mtm180 -63.85 -37.94 89.25 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.967 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -66.04 -32.92 74.67 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -89.71 14.0 12.86 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.607 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 56.02 27.59 11.52 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 120.828 0.347 . . . . 0.0 111.2 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.665 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 98.6 mttt -132.28 105.46 7.33 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.788 179.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . 0.558 HG22 ' HA ' ' A' ' 28' ' ' THR . 6.9 m -61.72 -44.38 97.04 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.62 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 64.1 ttp85 -61.67 132.65 53.93 Favored 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.365 0.416 . . . . 0.0 109.946 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 66.3 mt -85.65 137.36 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.907 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.423 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 25.9 pt -139.25 166.48 24.33 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.145 -179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 76.2 Cg_exo -50.07 -34.4 38.3 Favored 'Trans proline' 0 N--CA 1.5 1.893 0 C-N-CA 122.343 2.028 . . . . 0.0 112.2 -179.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 80.0 mtp85 -63.02 -39.84 95.95 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -67.06 -41.18 86.89 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.417 179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 70.7 mt -61.35 -42.43 98.68 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.051 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 65.8 tp60 -60.1 -44.45 94.82 Favored 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.278 0.361 . . . . 0.0 110.555 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 73.5 mt -65.38 -41.77 93.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.234 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.433 ' HB1' ' CB ' ' A' ' 154' ' ' LEU . . . -65.37 -45.66 83.2 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.813 -179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.623 HD13 HD13 ' A' ' 182' ' ' LEU . 35.7 mm -64.15 -44.81 97.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.77 -179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -73.1 -24.63 60.66 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.086 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -77.48 -16.73 58.58 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 123.154 0.284 . . . . 0.0 111.546 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -109.92 115.1 29.18 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.413 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -60.81 -39.91 90.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.229 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 23.9 mp0 -60.67 -46.3 90.85 Favored 'General case' 0 C--O 1.237 0.397 0 O-C-N 123.307 0.38 . . . . 0.0 111.531 -179.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.623 HD13 HD13 ' A' ' 176' ' ' ILE . 40.9 mt -64.22 -37.53 87.79 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.145 0.278 . . . . 0.0 110.347 179.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -62.18 -39.43 92.66 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.955 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.99 -43.23 99.36 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.747 179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 38.0 tp -62.33 -39.9 94.59 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.732 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.479 HD21 ' HE2' ' A' ' 41' ' ' PHE . 65.9 mt -88.19 -11.65 46.15 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.181 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . 61.41 -77.36 0.02 OUTLIER Glycine 0 C--N 1.343 0.958 0 N-CA-C 111.481 -0.647 . . . . 0.0 111.481 179.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 10.6 ptp85 -149.59 64.52 1.0 Allowed 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 120.926 0.393 . . . . 0.0 111.365 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 98.6 t -118.66 129.18 75.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 24.3 m -97.18 123.9 41.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.423 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.35 -47.24 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.999 -179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -150.54 133.5 16.02 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.637 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -69.15 -38.89 79.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.108 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.698 0 CA-C-O 117.983 -1.454 . . . . 0.0 110.958 -179.828 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.4 ptt? . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -103.89 131.01 51.53 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.123 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.429 HD12 HD12 ' B' ' 67' ' ' LEU . 33.4 pt -130.33 159.53 42.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.109 179.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -113.84 135.78 53.59 Favored 'General case' 0 C--O 1.233 0.193 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 36.1 t -117.38 124.8 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -116.68 150.64 37.84 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.144 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.428 HG22 ' HB3' ' B' ' 69' ' ' LEU . 55.7 p -122.72 162.87 21.19 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.437 -179.255 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.61 -21.68 65.83 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.034 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 56.5 p -70.31 -22.44 62.83 Favored 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 119.675 -1.891 . . . . 0.0 111.365 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.66 15.24 27.52 Favored Glycine 0 C--N 1.356 1.692 0 O-C-N 121.197 -0.94 . . . . 0.0 112.535 -173.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -94.07 125.19 38.55 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-N 117.086 0.443 . . . . 0.0 110.049 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.9 m -110.98 124.26 51.8 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.943 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.53 HD12 ' HD2' ' B' ' 33' ' ' LYS . 47.6 pt -122.28 136.62 58.54 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.797 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -88.85 132.14 34.79 Favored 'General case' 0 N--CA 1.433 -1.302 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 -179.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 15.9 tp -139.58 142.13 37.15 Favored 'General case' 0 C--N 1.348 0.509 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.234 -177.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 54.1 mp0 -111.92 120.97 43.71 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.469 0.481 . . . . 0.0 110.228 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.5 m -132.39 164.33 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.403 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.894 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -103.84 147.95 35.07 Favored Pre-proline 0 CA--C 1.543 0.689 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.602 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.66 -40.78 64.03 Favored 'Trans proline' 0 N--CA 1.501 1.914 0 C-N-CA 122.372 2.048 . . . . 0.0 112.42 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 67.3 m -79.24 -6.37 56.47 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.267 -179.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -65.01 136.68 57.07 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 15.4 p -78.05 157.64 29.49 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.109 -179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 29.7 mm -65.36 -41.76 92.02 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.384 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.897 179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -53.55 -42.88 67.95 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 -179.266 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -65.04 -40.11 94.31 Favored 'General case' 0 C--O 1.237 0.403 0 O-C-N 123.273 0.358 . . . . 0.0 110.321 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 89.4 t -60.92 -46.05 97.18 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.682 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -59.3 -37.03 76.7 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.68 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.71 84.09 Favored 'General case' 0 C--O 1.235 0.293 0 O-C-N 123.386 0.429 . . . . 0.0 110.037 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.92 -38.87 92.68 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 45.4 mm -62.65 -43.84 98.91 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -57.63 -36.37 71.73 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.113 178.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -66.38 -35.93 81.57 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.396 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.53 ' HD2' HD12 ' B' ' 13' ' ' ILE . 68.2 mttm -91.0 -32.79 15.79 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 -178.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -101.24 -39.67 7.52 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 175.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.56 21.86 46.03 Favored Glycine 0 C--N 1.359 1.841 0 C-N-CA 125.333 1.444 . . . . 0.0 111.405 -168.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 47.9 mt -88.16 129.98 47.82 Favored Pre-proline 0 CA--C 1.545 0.781 0 CA-C-O 119.186 -0.435 . . . . 0.0 110.307 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -58.26 123.61 14.02 Favored 'Trans proline' 0 N--CA 1.496 1.649 0 C-N-CA 121.93 1.753 . . . . 0.0 111.601 179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' B' ' 41' ' ' GLN . 51.8 Cg_exo -51.5 -38.93 65.18 Favored 'Trans proline' 0 N--CA 1.501 1.946 0 C-N-CA 122.242 1.961 . . . . 0.0 112.515 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -66.53 -37.26 84.62 Favored 'General case' 0 N--CA 1.429 -1.49 0 C-N-CA 117.391 -1.724 . . . . 0.0 108.537 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -84.45 9.29 13.76 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 122.024 -0.423 . . . . 0.0 111.77 -170.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' B' ' 38' ' ' PRO . 7.1 pt20 -125.74 141.62 51.92 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 120.641 0.258 . . . . 0.0 111.202 -178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 36.3 mtt-85 -115.67 133.01 56.46 Favored 'General case' 0 N--CA 1.461 0.1 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.99 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.418 ' HB3' HD12 ' B' ' 50' ' ' LEU . 67.9 mt -104.59 134.23 48.11 Favored 'General case' 0 CA--C 1.519 -0.24 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.657 HD11 HD12 ' C' ' 676' ' ' LEU . 94.8 mt -124.89 137.95 55.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.691 -178.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -123.62 126.2 46.19 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.27 29.01 14.16 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.464 -178.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 78.97 15.68 80.22 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -112.08 134.67 53.49 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 117.136 0.468 . . . . 0.0 110.336 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.641 ' NE2' HD21 ' C' ' 676' ' ' LEU . 82.4 mt-30 -61.62 149.42 39.35 Favored 'General case' 0 CA--C 1.515 -0.392 0 O-C-N 123.465 0.478 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.418 HD12 ' HB3' ' B' ' 43' ' ' LEU . 85.3 mt -117.65 130.32 56.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.954 -179.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -85.27 141.71 29.9 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.1 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.98 -39.75 93.93 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.919 -179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -77.6 9.97 26.33 Favored Glycine 0 CA--C 1.535 1.323 0 CA-C-N 116.037 -0.529 . . . . 0.0 113.351 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -112.09 165.05 12.48 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 117.257 0.528 . . . . 0.0 110.773 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 31.3 p -106.13 164.75 11.74 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.497 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.14 -40.78 98.55 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.577 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 88.3 p -61.67 -29.51 70.12 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.637 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -64.38 -25.14 67.9 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.186 0.304 . . . . 0.0 111.309 -179.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 51.8 m-85 -96.84 12.09 33.41 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 57.01 44.09 23.41 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.043 0.449 . . . . 0.0 111.211 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.8 mt -88.31 127.75 41.09 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -101.3 -179.45 4.04 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.836 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -59.15 146.02 40.37 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.116 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 52.7 84.14 0.06 Allowed 'General case' 0 C--O 1.237 0.415 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.644 -179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 4.4 m -129.51 149.39 51.3 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.007 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.8 m -98.65 124.67 43.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.717 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.429 HD12 HD12 ' B' ' 3' ' ' ILE . 84.7 mt -116.64 126.31 53.04 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.189 179.475 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -91.55 142.86 27.19 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.954 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.428 ' HB3' HG22 ' B' ' 7' ' ' THR . 24.9 tp -110.42 130.87 55.46 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 121.287 0.565 . . . . 0.0 111.746 -177.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.698 HG22 ' HB1' ' C' ' 673' ' ' ALA . 19.4 t -126.85 165.01 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.47 178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.478 ' N ' HG12 ' B' ' 70' ' ' VAL . 10.6 tp -113.45 115.63 28.35 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 121.145 -0.222 . . . . 0.0 111.58 -178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 51.8 ttp180 -79.76 135.59 36.54 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.488 HD22 ' NH2' ' C' ' 684' ' ' ARG . 60.0 mt -102.98 61.67 0.79 Allowed 'General case' 0 C--O 1.239 0.517 0 CA-C-O 120.951 0.405 . . . . 0.0 111.215 -179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -132.45 144.84 50.76 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.432 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.44 164.06 34.43 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.675 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.894 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -110.15 92.44 4.05 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.762 0.315 . . . . 0.0 110.814 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 59.2 mtt -136.03 147.85 48.11 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.573 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -145.31 83.09 9.33 Favored Pre-proline 0 CA--C 1.546 0.827 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.386 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -70.87 -13.18 31.72 Favored 'Trans proline' 0 N--CA 1.502 1.971 0 C-N-CA 122.205 1.936 . . . . 0.0 112.782 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . . . . . . . . . 49.2 t -63.3 -42.31 95.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.444 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . . . . . . . . . 57.9 mt -60.28 -43.23 96.42 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.161 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 97.2 mtt-85 -68.13 -38.77 82.56 Favored 'General case' 0 N--CA 1.465 0.296 0 O-C-N 123.105 0.253 . . . . 0.0 110.755 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -68.07 -39.43 82.93 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.336 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . . . . . . . . . 74.2 mtm -64.16 -39.78 94.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.943 -179.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -65.23 -43.7 90.6 Favored 'General case' 0 C--O 1.234 0.242 0 O-C-N 123.322 0.389 . . . . 0.0 110.783 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -66.32 -42.37 88.33 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.98 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -65.44 -41.35 93.57 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.392 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.95 -43.12 99.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.273 -179.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -65.7 -42.55 91.02 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 123.263 0.352 . . . . 0.0 110.689 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -69.27 -31.99 70.87 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.896 179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 73.4 tt0 -62.4 -45.71 91.88 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.108 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -67.22 -35.21 79.12 Favored 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.484 0.49 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 44.8 tp10 -60.04 -46.54 89.19 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.17 -35.65 81.75 Favored 'General case' 0 C--O 1.228 -0.049 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.398 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -63.96 -36.26 83.37 Favored 'General case' 0 C--N 1.342 0.263 0 O-C-N 123.417 0.448 . . . . 0.0 110.803 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -65.32 -46.04 81.88 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.313 0.383 . . . . 0.0 110.108 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.507 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.1 tm? -67.68 -42.71 81.65 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.043 0.449 . . . . 0.0 109.857 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.698 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -63.07 -38.99 93.38 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.387 179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 29.0 tp -62.11 -37.99 87.22 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.734 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -61.99 -42.46 99.17 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 123.61 0.569 . . . . 0.0 109.919 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.657 HD12 HD11 ' B' ' 44' ' ' ILE . 77.2 mt -64.72 -42.19 95.41 Favored 'General case' 0 C--N 1.342 0.281 0 O-C-N 123.413 0.445 . . . . 0.0 110.437 178.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 65.1 tp60 -59.94 -43.8 94.75 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.076 -179.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -71.59 -42.05 68.22 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.798 179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . 0.403 ' HE3' ' HA ' ' C' ' 676' ' ' LEU . 60.1 mtm -62.54 -46.19 89.53 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.745 -178.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -61.87 -41.47 97.9 Favored 'General case' 0 C--O 1.234 0.251 0 O-C-N 123.582 0.551 . . . . 0.0 110.461 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -66.95 -34.88 78.73 Favored 'General case' 0 C--O 1.233 0.197 0 O-C-N 123.391 0.432 . . . . 0.0 110.617 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -64.2 -38.64 91.79 Favored 'General case' 0 C--O 1.231 0.099 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -53.54 -38.73 64.09 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.678 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.488 ' NH2' HD22 ' B' ' 73' ' ' LEU . 75.0 mtt180 -60.85 -34.97 75.4 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.295 179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 56.75 57.1 4.96 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.977 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 6.0 t -142.65 157.83 44.28 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.383 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 44.9 t -62.57 -45.41 98.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.072 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 20.6 m -66.53 145.87 55.15 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.93 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 84.4 mtt85 -143.74 152.61 41.49 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.372 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 28.3 tpt85 -58.98 -44.29 91.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.7 -179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -94.12 143.44 26.37 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.533 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . -162.47 -80.57 0.04 OUTLIER Glycine 0 CA--C 1.526 0.773 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 89.8 p -155.02 170.01 22.78 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.536 0.208 . . . . 0.0 110.563 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 80.9 t -111.77 132.7 59.66 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.819 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -125.64 122.7 37.17 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.879 179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -62.59 178.2 0.45 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.27 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -68.6 146.98 52.57 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.373 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 69.1 mt -71.71 131.0 42.5 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.763 -179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 78.0 mt -139.17 136.2 34.81 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.383 179.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 62.3 mtp180 -64.06 -38.48 91.21 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.695 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 77.5 p -62.38 -36.4 82.18 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.056 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 11.6 t -58.12 -50.66 72.71 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.691 -179.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 64.4 t30 50.49 30.27 4.57 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.296 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 77.3 mtm -97.17 135.74 38.68 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.282 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -64.65 140.23 58.85 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.592 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -101.66 151.75 18.62 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -59.44 -34.5 72.59 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.531 0.205 . . . . 0.0 110.607 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 74.8 tttt . . . . . 0 C--O 1.219 -0.516 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.504 179.901 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 58.2 ttp180 . . . . . 0 N--CA 1.493 1.705 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -62.06 -41.92 98.65 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.654 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.2 mp0 -117.59 111.01 18.62 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.166 179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.1 t -82.83 131.96 35.18 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.27 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -118.26 28.2 8.51 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.293 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 74.1 m -57.07 -40.16 76.35 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.66 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.0 mt -65.45 -43.17 94.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.796 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -67.14 -44.69 79.19 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.071 -178.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.0 p -64.77 -35.63 75.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -55.63 -44.07 76.76 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -62.31 -41.99 98.99 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.539 0.524 . . . . 0.0 110.123 179.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 41.9 t -60.64 -42.85 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.43 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.59 -37.29 80.89 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.849 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -65.76 -39.77 91.37 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 111.893 0.331 . . . . 0.0 111.893 -178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.41 -36.59 71.39 Favored 'General case' 0 N--CA 1.488 1.473 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.983 -178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -78.14 -31.89 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.525 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -178.25 91.27 0.23 Allowed Pre-proline 0 CA--C 1.551 1.004 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.384 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -54.96 -36.73 93.0 Favored 'Trans proline' 0 N--CA 1.505 2.176 0 C-N-CA 122.567 2.178 . . . . 0.0 112.946 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -61.81 -44.86 96.02 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 112.019 -178.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -67.65 137.4 55.56 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.252 0.345 . . . . 0.0 110.871 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.44 168.37 12.59 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.544 -1.022 . . . . 0.0 110.544 179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.5 tt -137.66 144.6 30.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 120.715 0.293 . . . . 0.0 110.369 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.3 m -74.47 146.67 42.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.257 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.1 p -63.5 -36.35 83.48 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 122.752 0.421 . . . . 0.0 110.355 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -67.59 -43.45 80.5 Favored 'General case' 0 C--N 1.348 0.54 0 C-N-CA 123.166 0.586 . . . . 0.0 110.321 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.67 88.43 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.786 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.7 ttm -63.77 -42.04 97.85 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.229 -0.441 . . . . 0.0 109.989 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.98 -38.03 93.58 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 89.8 mt -63.04 -41.67 93.72 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 94.3 mmm -61.33 -37.98 85.26 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.157 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -61.35 -40.2 93.39 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 t -62.87 -38.5 91.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.171 178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.434 ' HE2' HD21 ' A' ' 186' ' ' LEU . 58.9 t80 -60.82 -44.1 97.35 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.518 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.8 t -59.77 -44.41 93.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -64.09 -41.4 97.31 Favored 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.419 0.449 . . . . 0.0 111.149 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -63.44 -42.78 98.69 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.34 0.4 . . . . 0.0 111.463 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.44 HG22 HD12 ' A' ' 49' ' ' ILE . 36.2 mm -63.74 -41.19 91.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.441 ' CD2' HD21 ' A' ' 140' ' ' LEU . 86.1 t80 -56.51 -45.68 80.92 Favored 'General case' 0 CA--C 1.536 0.416 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.557 -179.355 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -64.91 -43.21 93.56 Favored 'General case' 0 CA--C 1.532 0.273 0 O-C-N 123.296 0.372 . . . . 0.0 111.902 -178.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -64.14 -46.62 83.28 Favored 'General case' 0 N--CA 1.466 0.337 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.504 HG21 HD13 ' A' ' 140' ' ' LEU . 91.9 mt -64.93 -43.42 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.037 -179.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.34 -39.86 84.5 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.431 0.457 . . . . 0.0 111.351 -178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.97 -46.37 81.85 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -64.73 -42.46 95.19 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 110.526 -0.175 . . . . 0.0 110.526 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -45.13 93.67 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.412 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 44.7 m -61.46 -40.82 95.9 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.601 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -59.35 -43.31 92.82 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.373 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 49.0 mt -62.99 -40.32 97.4 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.58 91.34 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.376 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -62.49 -39.57 93.9 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.26 179.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -63.16 -41.45 99.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.29 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -91.91 3.47 55.11 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.18 -0.463 . . . . 0.0 112.191 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.0 mttp 54.18 35.99 23.85 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.897 0.379 . . . . 0.0 111.394 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 85.4 mtm-85 -93.32 136.18 33.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.54 179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 67.1 m -88.72 -26.5 21.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.491 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 11.7 m -106.46 129.31 54.45 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.6 mt -92.87 134.75 29.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.445 ' HA ' ' HB2' ' A' ' 136' ' ' ALA . 82.3 p -129.07 177.01 7.44 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.012 -179.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 91.9 p -56.2 -32.49 64.44 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.275 -0.875 . . . . 0.0 111.962 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -59.71 -44.63 93.62 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 -178.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 55.3 mp0 -66.55 -40.92 89.29 Favored 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.215 0.322 . . . . 0.0 110.623 179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.589 HD11 ' HB1' ' A' ' 136' ' ' ALA . 90.1 mt -65.01 -42.73 95.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.253 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.418 ' HG2' ' CZ ' ' A' ' 139' ' ' TYR . 82.5 mt-30 -56.11 -43.76 78.43 Favored 'General case' 0 C--O 1.234 0.272 0 O-C-N 123.233 0.333 . . . . 0.0 110.989 -178.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 19.5 m -63.57 -43.73 96.16 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.318 0.386 . . . . 0.0 110.231 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.0 93.42 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.561 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 70' ' ' ILE . 81.6 t -61.86 -43.6 97.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.423 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.31 -38.67 91.85 Favored 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.265 0.353 . . . . 0.0 111.602 -178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.1 mt -74.19 -33.07 63.31 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 63.6 mt -86.46 -35.7 19.5 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 78' ' ' LEU . 8.0 mp -103.16 149.62 37.09 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -58.72 164.3 9.77 Favored 'Trans proline' 0 N--CA 1.5 1.903 0 C-N-CA 122.375 2.05 . . . . 0.0 111.447 178.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -54.48 -46.08 74.37 Favored Glycine 0 CA--C 1.53 0.996 0 CA-C-N 116.327 -0.397 . . . . 0.0 112.558 -178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.43 -46.95 86.2 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.76 0.28 . . . . 0.0 111.645 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.3 mm? -64.72 -41.77 95.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.409 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.483 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -65.29 -40.42 93.83 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.815 -179.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.21 -47.1 87.38 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.125 -178.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -70.11 -36.63 74.98 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.474 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.7 -38.11 83.93 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.308 -179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 83' ' ' ALA . 86.6 t -63.45 -43.01 98.24 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 CA-C-N 116.427 -0.352 . . . . 0.0 110.563 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 68.2 m -62.18 -38.48 89.23 Favored 'General case' 0 N--CA 1.437 -1.119 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -70.2 -41.71 73.33 Favored 'General case' 0 C--N 1.348 0.501 0 C-N-CA 122.478 0.311 . . . . 0.0 111.241 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.98 -39.74 93.29 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.8 m -60.39 -45.87 92.0 Favored 'General case' 0 C--O 1.233 0.199 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.4 tmtt? -59.95 -41.02 90.97 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 123.514 0.509 . . . . 0.0 110.563 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.78 -42.44 93.32 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 93.7 t -67.79 -40.95 84.65 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.9 m -59.95 -44.03 94.64 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.761 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 57.3 tttm -61.4 -41.0 96.43 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -61.13 -45.08 96.15 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 35.0 p -68.91 -37.92 79.26 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 95.0 p -74.62 -33.32 62.55 Favored 'General case' 0 CA--C 1.498 -1.04 0 O-C-N 119.587 -1.946 . . . . 0.0 110.958 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 101' ' ' ALA . 88.4 p -66.15 -32.8 74.46 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 118.178 0.444 . . . . 0.0 111.036 178.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 100' ' ' SER . . . 69.84 -66.88 0.25 Allowed 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.355 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.2 p -142.76 119.04 10.83 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.527 179.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.579 ' HB3' ' CG ' ' A' ' 109' ' ' ARG . . . -118.38 -173.58 2.49 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.481 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 64.4 mttm -95.1 -48.27 6.02 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.13 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 18.1 m -109.89 155.64 21.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.669 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -67.45 -43.46 81.04 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.611 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 58.5 m -63.82 -37.55 87.8 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.946 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 94.2 p -64.18 -32.89 74.64 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.279 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.579 ' CG ' ' HB3' ' A' ' 103' ' ' ALA . 99.6 mtt180 -61.41 -35.42 77.48 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.868 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.502 ' CB ' HG13 ' A' ' 138' ' ' VAL . . . -99.58 -20.99 16.08 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.607 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.68 22.68 76.83 Favored Glycine 0 CA--C 1.533 1.201 0 N-CA-C 111.616 -0.593 . . . . 0.0 111.616 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' A' ' 141' ' ' ALA . 68.6 mt -86.48 139.13 31.18 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.537 0.208 . . . . 0.0 110.459 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -61.73 -51.14 69.59 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.58 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -62.59 133.77 94.94 Favored Pre-proline 0 CA--C 1.545 0.75 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.731 -179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -54.57 108.48 0.3 Allowed 'Trans proline' 0 N--CA 1.501 1.922 0 C-N-CA 122.14 1.893 . . . . 0.0 111.905 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.6 t -64.35 -43.15 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.471 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.24 -41.18 86.25 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -64.91 -38.28 90.45 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.45 0.125 . . . . 0.0 111.144 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.47 -45.41 93.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -63.52 -41.75 98.48 Favored 'General case' 0 C--O 1.234 0.275 0 O-C-N 123.322 0.389 . . . . 0.0 110.391 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -66.26 -39.71 89.66 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.7 -39.82 92.81 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.408 -178.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.45 -43.13 99.41 Favored 'General case' 0 C--O 1.234 0.253 0 O-C-N 123.271 0.357 . . . . 0.0 110.841 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 60.6 ttt85 -65.52 -41.71 92.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.661 -179.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -62.41 -39.43 93.23 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.806 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -67.26 -4.48 29.93 Favored Glycine 0 CA--C 1.54 1.616 0 N-CA-C 111.864 -0.494 . . . . 0.0 111.864 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 66.0 t30 58.01 29.03 17.11 Favored 'General case' 0 C--N 1.345 0.402 0 CA-C-N 116.984 0.392 . . . . 0.0 111.487 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -62.87 -44.45 96.09 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.331 179.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 82.7 p -152.9 158.79 42.66 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.635 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -64.63 -39.38 93.61 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.882 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 59.9 ttm-85 -129.89 143.6 50.89 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.539 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 50.3 t -125.2 140.1 49.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -77.24 178.23 51.73 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 111.665 -0.574 . . . . 0.0 111.665 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.519 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -95.36 -42.37 8.54 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.403 -0.399 . . . . 0.0 110.719 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -64.68 -34.77 90.8 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.719 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.795 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -59.76 -60.21 11.33 Favored Pre-proline 0 CA--C 1.546 0.804 0 CA-C-O 118.963 -0.542 . . . . 0.0 110.473 -179.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.795 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 37.0 Cg_exo -54.43 -38.07 89.5 Favored 'Trans proline' 0 N--CA 1.497 1.696 0 C-N-CA 121.838 1.692 . . . . 0.0 111.373 178.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 134' ' ' ALA . 98.2 t -62.8 -45.72 98.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . 0.418 ' CZ ' ' HG2' ' A' ' 71' ' ' GLN . 49.1 t80 -62.13 -45.42 93.56 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.115 -179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.504 HD13 HG21 ' A' ' 49' ' ' ILE . 40.5 tp -61.41 -41.65 97.48 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.644 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -60.87 -38.84 86.99 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.89 -179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.413 ' HA ' HD22 ' A' ' 112' ' ' LEU . . . -66.65 -40.27 88.61 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.191 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 84.5 t -62.46 -44.2 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.209 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 77.2 mt -62.32 -39.57 93.47 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.974 -179.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -63.25 -38.55 91.62 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.417 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -61.04 -46.51 90.4 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.347 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.4 -40.71 95.38 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.02 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 18.7 m -62.51 -44.73 95.66 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 123.379 0.424 . . . . 0.0 110.809 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -66.25 -38.92 89.02 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.704 -179.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.42 ' OE2' HD23 ' C' ' 699' ' ' LEU . 41.6 tp10 -68.8 -42.53 77.19 Favored 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.282 0.363 . . . . 0.0 111.538 -178.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.69 -43.39 96.59 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.058 -179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.83 -40.36 97.19 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.638 -178.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 44.5 tp10 -64.9 -43.48 92.71 Favored 'General case' 0 C--O 1.236 0.342 0 O-C-N 123.145 0.278 . . . . 0.0 110.824 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.525 ' HB3' ' HB1' ' A' ' 175' ' ' ALA . 76.5 mt -64.14 -40.22 95.7 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.601 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.67 -37.04 82.6 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.564 179.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -65.06 -38.89 95.93 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 -61.39 -43.7 98.42 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.423 0.154 . . . . 0.0 110.667 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.71 91.05 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . . . . . . . . . . . -59.51 -40.64 87.76 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.161 179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 78.6 mtp85 -62.49 -39.08 92.32 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.111 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -62.1 -34.6 76.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.545 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -91.74 10.97 26.15 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.62 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.1 mttt 56.48 46.95 19.73 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.104 0.478 . . . . 0.0 111.105 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -132.89 145.82 51.26 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.717 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 13.9 p -103.03 -1.09 29.83 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.257 179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 56.6 ttp180 -106.54 145.02 32.38 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 110.357 -0.238 . . . . 0.0 110.357 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 64.3 mt -103.64 129.92 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . 0.407 ' HB ' ' HD2' ' A' ' 169' ' ' PRO . 26.7 pt -130.86 166.7 25.53 Favored Pre-proline 0 CA--C 1.545 0.751 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.052 -179.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . 0.407 ' HD2' ' HB ' ' A' ' 168' ' ' ILE . 78.2 Cg_exo -50.71 -34.13 42.84 Favored 'Trans proline' 0 N--CA 1.501 1.94 0 C-N-CA 122.25 1.966 . . . . 0.0 112.06 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -63.51 -40.91 98.29 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.551 -0.536 . . . . 0.0 109.551 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -66.17 -41.08 90.81 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.365 179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.9 -42.0 98.56 Favored 'General case' 0 C--O 1.232 0.168 0 O-C-N 123.512 0.508 . . . . 0.0 110.72 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -64.3 -43.47 94.64 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 123.352 0.408 . . . . 0.0 110.346 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . . . . . . . . . 68.0 mt -63.48 -44.54 94.12 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.525 ' HB1' ' HB3' ' A' ' 154' ' ' LEU . . . -65.87 -45.6 81.5 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.277 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.97 -44.11 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.104 -179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 61.2 ttm-85 -68.79 -27.1 65.57 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.493 0.496 . . . . 0.0 111.23 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -78.47 -17.08 56.83 Favored 'General case' 0 CA--C 1.536 0.416 0 O-C-N 123.199 0.312 . . . . 0.0 111.517 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -104.88 117.83 35.02 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -64.25 -39.35 93.77 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.543 -179.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 56.0 mp0 -61.39 -48.08 82.88 Favored 'General case' 0 C--O 1.237 0.398 0 O-C-N 123.287 0.367 . . . . 0.0 111.361 -179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . . . . . . . . . 68.4 mt -65.3 -37.73 88.05 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.648 179.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -60.5 -39.36 87.47 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.322 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -64.13 -44.04 93.43 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.531 179.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 32.3 tp -65.13 -42.8 93.52 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.434 HD21 ' HE2' ' A' ' 41' ' ' PHE . 68.4 mt -102.43 21.75 14.63 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.038 -0.528 . . . . 0.0 112.244 -178.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -55.57 -40.28 77.83 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -95.39 15.47 19.43 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 111.858 0.318 . . . . 0.0 111.858 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 84.8 t -126.53 128.62 71.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 10.2 t -110.16 129.32 55.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.375 -0.829 . . . . 0.0 109.414 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 41.2 mm -65.96 -44.75 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.294 -179.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -145.18 153.67 41.6 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.646 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -96.5 146.4 24.83 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.298 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.755 0 CA-C-O 118.013 -1.437 . . . . 0.0 110.953 -179.893 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ttp . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -119.64 132.71 55.76 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.061 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 42.0 pt -132.9 150.49 32.99 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.192 179.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -105.39 140.7 38.1 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 109.828 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.405 HG21 HD22 ' B' ' 15' ' ' LEU . 49.0 t -123.12 121.68 63.64 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -116.55 149.94 38.79 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.356 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.429 HG22 ' HB3' ' B' ' 69' ' ' LEU . 45.5 p -115.31 164.41 14.29 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.369 -179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 88.7 mt -61.31 -19.26 61.57 Favored 'General case' 0 CA--C 1.541 0.62 0 O-C-N 123.35 0.406 . . . . 0.0 110.98 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 38.2 p -69.39 -24.98 63.94 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 119.253 -2.154 . . . . 0.0 111.419 176.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.45 2.54 33.04 Favored Glycine 0 C--N 1.359 1.809 0 CA-C-N 119.582 1.083 . . . . 0.0 112.652 -175.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -79.86 153.31 29.14 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 117.145 0.473 . . . . 0.0 110.061 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.4 m -131.95 126.07 33.17 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.322 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.703 HD12 ' HD2' ' B' ' 33' ' ' LYS . 47.8 pt -126.8 134.68 65.67 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.452 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 10.6 t -86.43 138.12 32.02 Favored 'General case' 0 N--CA 1.432 -1.328 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.405 HD22 HG21 ' B' ' 5' ' ' VAL . 1.5 mp -128.31 135.39 49.55 Favored 'General case' 0 C--N 1.348 0.511 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -179.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -111.22 112.23 23.87 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.55 0.531 . . . . 0.0 109.961 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 31.9 m -141.73 169.03 14.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.088 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -105.66 157.29 34.92 Favored Pre-proline 0 CA--C 1.541 0.631 0 O-C-N 123.256 0.348 . . . . 0.0 110.573 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -53.55 -36.51 80.65 Favored 'Trans proline' 0 N--CA 1.501 1.964 0 C-N-CA 122.409 2.072 . . . . 0.0 112.506 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -79.19 -7.1 57.96 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.996 -0.547 . . . . 0.0 112.382 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -65.54 140.41 58.55 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-O 120.582 0.23 . . . . 0.0 110.595 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 16.6 p -82.55 159.59 22.76 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.016 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 35.2 mm -64.99 -42.16 94.01 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.445 179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -55.1 -39.24 69.11 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -63.93 -41.19 97.71 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 123.287 0.367 . . . . 0.0 110.134 178.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.61 -44.27 98.39 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.584 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.06 -36.96 73.53 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.7 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.63 -39.07 86.88 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -62.84 -37.77 88.13 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 43.4 mm -62.62 -41.38 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 179.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -57.2 -38.96 74.48 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.125 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -64.92 -43.32 93.19 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.437 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.703 ' HD2' HD12 ' B' ' 13' ' ' ILE . 68.8 mttm -78.62 -42.31 29.22 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.178 1.177 . . . . 0.0 114.178 -178.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.523 ' HG2' HD12 ' B' ' 36' ' ' ILE . 4.5 tp10 -90.74 -35.51 14.84 Favored 'General case' 0 N--CA 1.433 -1.299 0 O-C-N 121.25 -0.906 . . . . 0.0 113.265 178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.75 25.79 40.6 Favored Glycine 0 C--N 1.358 1.778 0 O-C-N 121.655 -0.653 . . . . 0.0 111.622 -173.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.523 HD12 ' HG2' ' B' ' 34' ' ' GLU . 56.8 mt -109.97 140.4 22.27 Favored Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 119.228 -0.415 . . . . 0.0 110.093 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -50.88 126.64 19.08 Favored 'Trans proline' 0 N--CA 1.497 1.706 0 C-N-CA 121.873 1.716 . . . . 0.0 111.828 179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.8 -28.18 81.39 Favored 'Trans proline' 0 N--CA 1.501 1.929 0 C-N-CA 122.238 1.958 . . . . 0.0 112.487 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.16 -26.7 64.04 Favored 'General case' 0 N--CA 1.434 -1.227 0 O-C-N 120.725 -1.234 . . . . 0.0 109.473 -179.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -92.78 10.9 28.91 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 119.788 -1.82 . . . . 0.0 111.6 -176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -116.72 130.39 56.7 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.685 0.278 . . . . 0.0 111.648 -179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mtt-85 -103.03 126.52 50.25 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.813 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 76.3 mt -104.74 129.07 53.03 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 108.885 -0.784 . . . . 0.0 108.885 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.564 HD11 HD12 ' C' ' 676' ' ' LEU . 95.4 mt -120.82 136.94 56.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.043 -178.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -123.64 128.94 50.38 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 55.35 26.8 9.1 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.64 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.84 16.27 77.51 Favored Glycine 0 CA--C 1.536 1.382 0 N-CA-C 112.275 -0.33 . . . . 0.0 112.275 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -113.69 133.93 55.04 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.998 0.399 . . . . 0.0 110.125 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -61.85 148.73 42.39 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 123.362 0.414 . . . . 0.0 110.305 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 83.3 mt -115.32 142.59 46.48 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.11 -179.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -102.34 147.58 26.52 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.017 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -63.85 -39.03 93.25 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.882 -178.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -81.8 22.3 5.88 Favored Glycine 0 CA--C 1.532 1.106 0 O-C-N 123.626 0.579 . . . . 0.0 113.187 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 73.5 mmt-85 -119.85 151.63 38.56 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 117.241 0.52 . . . . 0.0 110.904 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 18.8 p -101.96 164.03 11.93 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.697 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.39 -40.34 96.19 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.513 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.1 p -59.21 -32.65 70.14 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.513 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -63.08 -34.3 77.3 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 123.104 0.252 . . . . 0.0 111.079 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -90.6 10.13 26.82 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 123.234 0.334 . . . . 0.0 111.74 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 28.3 m120 57.25 44.94 21.2 Favored 'General case' 0 C--O 1.238 0.497 0 CA-C-O 121.059 0.457 . . . . 0.0 111.094 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 66.8 mt -93.55 125.54 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -100.99 -176.15 3.08 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.741 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -56.32 144.16 31.46 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.824 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 55.47 89.2 0.04 OUTLIER 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.36 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 32.8 t -130.84 143.82 51.01 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.508 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 25.0 m -99.0 126.99 44.83 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.325 0.391 . . . . 0.0 110.466 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 69.8 mt -117.29 142.56 46.92 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.001 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -103.85 143.68 32.51 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.067 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.429 ' HB3' HG22 ' B' ' 7' ' ' THR . 18.7 tp -110.15 131.26 55.21 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.859 -177.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.737 HG22 ' HB1' ' C' ' 673' ' ' ALA . 13.6 t -127.9 163.79 30.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 CA-C-N 115.233 -0.894 . . . . 0.0 108.778 179.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.458 ' N ' HG12 ' B' ' 70' ' ' VAL . 16.2 tp -101.42 132.32 47.08 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 111.745 0.276 . . . . 0.0 111.745 -178.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -94.87 137.0 34.51 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.722 HD13 ' HD3' ' C' ' 684' ' ' ARG . 38.1 mt -127.47 142.58 51.36 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.835 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 57.87 163.96 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.795 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.37 24.01 74.19 Favored Glycine 0 CA--C 1.531 1.092 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.742 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -115.27 137.35 52.13 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.666 0.269 . . . . 0.0 110.678 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 97.0 mmm -68.42 -68.59 0.38 Allowed 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.531 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 176.35 57.83 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.145 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.249 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.51 -23.52 57.52 Favored 'Trans proline' 0 N--CA 1.504 2.126 0 C-N-CA 122.163 1.908 . . . . 0.0 112.877 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.469 HG12 ' CE ' ' C' ' 659' ' ' MET . 49.0 t -64.39 -43.29 97.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 -178.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.47 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 27.5 mt -60.74 -43.32 98.09 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.207 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -63.74 -39.45 94.32 Favored 'General case' 0 C--O 1.234 0.24 0 O-C-N 123.221 0.326 . . . . 0.0 110.494 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -69.25 -39.33 78.51 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.47 ' HE2' ' HA ' ' C' ' 656' ' ' LEU . 74.3 mtm -64.59 -40.85 96.26 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.91 -179.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.87 -42.3 85.85 Favored 'General case' 0 C--O 1.234 0.267 0 O-C-N 123.242 0.339 . . . . 0.0 110.835 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -65.34 -43.55 90.57 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.18 -41.73 96.97 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.222 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 35.7 mt -62.4 -42.62 99.57 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.388 0.43 . . . . 0.0 110.965 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -66.33 -41.12 90.08 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.271 0.357 . . . . 0.0 110.729 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -69.15 -32.93 72.62 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.105 179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -63.54 -46.16 87.25 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.274 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.56 -34.85 72.67 Favored 'General case' 0 C--O 1.235 0.294 0 O-C-N 123.503 0.502 . . . . 0.0 110.793 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -64.66 -38.48 91.15 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.37 -37.92 89.2 Favored 'General case' 0 C--N 1.339 0.136 0 O-C-N 123.392 0.433 . . . . 0.0 110.298 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -64.02 -38.22 90.27 Favored 'General case' 0 N--CA 1.465 0.31 0 O-C-N 123.406 0.441 . . . . 0.0 110.916 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -65.94 -46.07 79.52 Favored 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.216 0.322 . . . . 0.0 110.347 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.508 ' C ' HD13 ' C' ' 672' ' ' LEU . 2.9 tm? -66.23 -42.3 88.86 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.737 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -63.17 -38.44 91.17 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.454 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 22.6 tp -61.34 -38.79 88.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.849 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -62.55 -43.36 99.02 Favored 'General case' 0 N--CA 1.457 -0.099 0 O-C-N 123.438 0.461 . . . . 0.0 109.892 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.564 HD12 HD11 ' B' ' 44' ' ' ILE . 91.1 mt -66.08 -42.31 89.52 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 178.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.06 -43.45 95.4 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.787 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -70.57 -40.66 73.19 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.213 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 43.2 mtp -63.23 -48.35 78.62 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.196 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . 0.52 ' C ' HD12 ' B' ' 73' ' ' LEU . 35.4 m-85 -63.11 -40.61 98.14 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.541 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -65.73 -34.78 78.98 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.515 179.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -72.42 -38.86 68.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.002 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -56.91 -49.19 76.35 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.678 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . 0.722 ' HD3' HD13 ' B' ' 73' ' ' LEU . 32.5 ptt180 -69.07 -19.64 64.08 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.273 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 70.95 -67.29 0.26 Allowed 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 122.694 0.398 . . . . 0.0 110.757 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 51.88 -178.8 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.382 179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 31.4 m -64.97 -25.99 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.487 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.69 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 29.8 t 58.08 68.34 0.85 Allowed 'General case' 0 C--O 1.238 0.454 0 CA-C-O 120.884 0.373 . . . . 0.0 110.755 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -131.71 167.79 18.87 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -55.08 133.31 48.71 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.545 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -102.0 148.75 24.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.571 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 80.61 -167.88 50.77 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 44.1 t -154.55 168.94 25.06 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.509 0.195 . . . . 0.0 110.619 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . . . . . . . . . 51.0 t -64.87 -44.42 96.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.318 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.948 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -80.87 138.46 36.18 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.12 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.16 -48.38 68.16 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.272 179.584 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -135.68 163.5 30.01 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.179 179.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . . . . . . . . . 31.5 tp -84.64 129.87 34.79 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.707 -179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . 0.42 HD23 ' OE2' ' A' ' 150' ' ' GLU . 52.3 mt -131.09 164.1 26.19 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.218 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 94.9 mtm-85 -59.91 -37.56 79.81 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 88.2 p -54.62 127.66 28.96 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.615 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 44.8 t -70.57 147.02 49.73 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.783 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 -80.04 138.32 36.98 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.605 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 93.8 mtp -64.27 -40.91 96.96 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.647 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . -165.18 152.39 10.8 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.6 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . 136.7 -172.13 22.68 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -66.29 148.12 52.31 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.532 0.206 . . . . 0.0 110.451 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.95 -1.024 . . . . 0.0 110.587 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -67.82 133.02 48.49 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.721 -179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -127.33 138.77 53.12 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.181 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.4 m -81.46 123.33 28.5 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.089 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -115.39 22.56 13.14 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.538 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 79.2 p -58.84 -41.37 86.78 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.908 0.385 . . . . 0.0 110.404 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.2 mt -66.96 -42.55 88.93 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -65.48 -43.66 89.56 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.033 -0.53 . . . . 0.0 112.171 -178.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.0 p -64.57 -36.57 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 179.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -56.61 -43.66 80.37 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.288 -0.415 . . . . 0.0 109.967 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -61.11 -40.82 95.21 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 109.968 179.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.514 HG22 ' OE1' ' A' ' 113' ' ' GLN . 68.3 t -61.79 -44.43 98.78 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.538 ' HA ' HG12 ' A' ' 24' ' ' VAL . 35.4 tp -60.77 -37.61 82.47 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.921 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.36 -37.58 87.83 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.412 -178.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.24 -34.78 36.91 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 123.453 0.471 . . . . 0.0 110.97 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.538 HG12 ' HA ' ' A' ' 21' ' ' LEU . 1.7 p -76.88 -30.15 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.348 -178.543 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -179.53 91.96 0.2 Allowed Pre-proline 0 CA--C 1.551 0.988 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -55.0 -36.16 91.9 Favored 'Trans proline' 0 N--CA 1.504 2.113 0 C-N-CA 122.462 2.108 . . . . 0.0 112.912 -179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -62.97 -44.37 96.24 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.09 -178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 65.5 p -70.15 137.42 51.02 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 123.225 0.328 . . . . 0.0 110.535 -179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.31 171.74 14.03 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.605 -0.998 . . . . 0.0 110.605 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.514 HD13 ' SD ' ' A' ' 35' ' ' MET . 17.0 tt -135.65 141.11 43.09 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.263 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 85.6 p -82.13 158.66 23.58 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.076 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.6 m -61.05 -34.84 75.5 Favored 'General case' 0 CA--C 1.498 -1.049 0 C-N-CA 123.912 0.885 . . . . 0.0 109.839 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -66.53 -40.78 89.3 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 123.492 0.717 . . . . 0.0 110.473 179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.431 ' HB3' ' CG1' ' A' ' 30' ' ' ILE . . . -63.95 -36.4 83.85 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.099 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.514 ' SD ' HD13 ' A' ' 30' ' ' ILE . 24.7 mmm -61.84 -44.81 96.09 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 109.859 -0.422 . . . . 0.0 109.859 -179.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -63.01 -40.46 99.33 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.223 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.6 mt -63.53 -43.73 98.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 98.5 mmm -66.28 -39.17 89.22 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.146 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -63.54 -42.35 98.4 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.164 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 80.2 p -66.77 -33.64 76.06 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.472 179.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -62.06 -44.76 96.0 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.864 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.4 t -60.35 -45.51 96.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 58.5 m-80 -62.47 -42.81 99.74 Favored 'General case' 0 N--CA 1.464 0.274 0 O-C-N 123.372 0.42 . . . . 0.0 111.381 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -64.21 -46.16 85.1 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.391 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.8 mm -64.17 -41.75 93.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.923 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.434 ' CD2' HD21 ' A' ' 140' ' ' LEU . 73.7 t80 -57.05 -45.33 83.29 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 70.4 tt0 -63.51 -42.41 98.48 Favored 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 123.258 0.349 . . . . 0.0 111.403 -178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.02 -45.09 90.46 Favored 'General case' 0 C--O 1.234 0.252 0 O-C-N 123.276 0.36 . . . . 0.0 111.727 -179.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.495 HG21 HD13 ' A' ' 140' ' ' LEU . 90.2 mt -65.83 -43.78 93.08 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 O-C-N 123.257 0.348 . . . . 0.0 110.232 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.71 89.2 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.452 -178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.99 95.39 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.0 tt0 -67.69 -40.93 84.34 Favored 'General case' 0 N--CA 1.451 -0.391 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.64 -40.78 96.05 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.386 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.8 p -61.39 -43.48 98.8 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.322 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 94.3 mtm-85 -63.26 -40.33 97.09 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.481 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 69.7 mt -62.73 -39.82 95.27 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.723 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.401 ' HB1' ' O ' ' A' ' 62' ' ' ARG . . . -62.03 -37.71 85.93 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -65.1 -42.28 94.16 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.189 179.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -62.16 -40.21 95.25 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.421 179.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -92.0 2.39 56.59 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.987 179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 68.1 mttm 53.42 33.5 16.07 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.735 0.303 . . . . 0.0 111.175 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.401 ' O ' ' HB1' ' A' ' 57' ' ' ALA . 97.0 mtt-85 -95.72 117.03 29.75 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.402 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 14.8 p -67.85 -39.39 83.82 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.444 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.1 m -97.28 131.48 43.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.802 -179.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 84.1 mt -88.69 135.13 26.47 Favored 'Isoleucine or valine' 0 C--O 1.235 0.303 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 178.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 73.0 p -128.93 176.72 7.64 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.932 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 67.2 m -56.29 -33.53 65.62 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.956 -179.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -61.68 -44.24 97.32 Favored 'General case' 0 C--O 1.236 0.355 0 O-C-N 123.122 0.264 . . . . 0.0 111.67 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.7 mp0 -66.46 -43.25 86.03 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.045 0.216 . . . . 0.0 110.593 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.656 ' CD1' ' HB1' ' A' ' 136' ' ' ALA . 89.2 mt -64.59 -41.7 93.02 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.826 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -55.56 -43.56 76.0 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.268 0.355 . . . . 0.0 110.669 -178.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 9.1 m -62.75 -45.15 94.01 Favored 'General case' 0 C--O 1.233 0.214 0 O-C-N 123.314 0.384 . . . . 0.0 110.168 179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.09 -37.62 88.11 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.486 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 70' ' ' ILE . 52.9 t -61.95 -45.22 99.19 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.301 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.169 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -62.79 -39.02 92.96 Favored 'General case' 0 C--O 1.234 0.266 0 O-C-N 123.346 0.404 . . . . 0.0 111.384 -178.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 71.0 mt -72.68 -34.66 67.35 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -178.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.1 mt -81.78 -37.96 26.37 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.455 ' N ' HD12 ' A' ' 78' ' ' LEU . 8.4 mp -95.51 146.24 30.97 Favored Pre-proline 0 CA--C 1.542 0.652 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -56.43 165.67 4.2 Favored 'Trans proline' 0 N--CA 1.501 1.918 0 C-N-CA 122.157 1.905 . . . . 0.0 111.533 178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.06 -47.5 54.48 Favored Glycine 0 CA--C 1.53 1.025 0 CA-C-N 116.271 -0.422 . . . . 0.0 112.696 -178.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -65.05 -44.02 90.39 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 117.009 0.404 . . . . 0.0 111.521 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.71 -39.86 95.36 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.36 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 87' ' ' VAL . . . -61.07 -42.34 98.32 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.287 0.367 . . . . 0.0 111.855 -179.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -62.2 -44.17 97.17 Favored 'General case' 0 N--CA 1.467 0.375 0 O-C-N 123.101 0.25 . . . . 0.0 111.161 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.486 ' HB3' HD23 ' C' ' 698' ' ' LEU . 56.2 m80 -70.71 -36.41 73.22 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.351 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.66 -37.7 79.46 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 83' ' ' ALA . 90.3 t -62.92 -38.12 81.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 O-C-N 123.429 0.456 . . . . 0.0 110.018 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.5 t -60.34 -50.02 75.26 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 -179.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.493 ' HB3' ' HB1' ' A' ' 142' ' ' ALA . 15.4 mt-10 -68.88 -40.39 79.27 Favored 'General case' 0 C--N 1.343 0.326 0 CA-C-N 119.169 0.895 . . . . 0.0 111.744 -178.248 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.34 -47.88 55.34 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 121.366 -0.445 . . . . 0.0 112.104 -179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.8 m -63.57 -46.09 87.44 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.448 0.166 . . . . 0.0 110.699 -179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -62.63 -37.73 87.48 Favored 'General case' 0 N--CA 1.461 0.087 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.803 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.21 -40.43 90.09 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.345 0.403 . . . . 0.0 110.015 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.02 -44.06 92.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 178.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 12.4 m -61.24 -42.85 99.33 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.113 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -61.66 -41.63 97.8 Favored 'General case' 0 C--O 1.234 0.274 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -61.17 -45.42 94.67 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 42.3 p -68.69 -34.58 75.9 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.243 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 88.1 p -66.94 -42.88 84.57 Favored 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 118.788 -2.445 . . . . 0.0 111.541 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 18.5 t -72.33 125.42 27.33 Favored 'General case' 0 C--N 1.351 0.649 0 C-N-CA 118.852 -1.139 . . . . 0.0 110.865 176.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.11 -41.78 73.55 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.626 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 31.5 t -153.88 141.05 19.47 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.763 179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.588 ' HB3' ' HG3' ' A' ' 109' ' ' ARG . . . -142.67 150.18 39.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.319 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 23.3 mmtm -65.19 -39.41 92.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.004 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 13.3 p -119.83 153.23 36.08 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.566 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -69.38 -40.66 77.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.157 -179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -32.67 71.72 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.609 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 46.4 t -61.99 -40.12 94.53 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.588 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 78.5 mtp85 -64.74 -36.3 83.84 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' ' 138' ' ' VAL . . . -86.63 -21.91 26.48 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.505 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 69.09 30.27 72.04 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.276 -0.729 . . . . 0.0 111.276 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.436 HD13 ' HB3' ' A' ' 141' ' ' ALA . 64.1 mt -105.33 134.27 48.71 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 110.195 -0.298 . . . . 0.0 110.195 -179.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLN . . . . . 0.514 ' OE1' HG22 ' A' ' 20' ' ' VAL . 44.9 mt-30 -62.49 -42.72 99.69 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.631 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -63.75 141.71 97.98 Favored Pre-proline 0 CA--C 1.543 0.699 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -62.03 104.04 0.32 Allowed 'Trans proline' 0 N--CA 1.501 1.927 0 C-N-CA 122.028 1.819 . . . . 0.0 111.91 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.0 t -64.41 -42.63 95.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.349 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . -56.11 -42.14 86.98 Favored Glycine 0 CA--C 1.529 0.925 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -64.63 -36.78 85.36 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.442 0.121 . . . . 0.0 111.092 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.9 t -59.72 -45.44 94.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -60.21 -44.14 95.4 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.408 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 81.0 mtp85 -65.97 -38.26 88.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.99 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 34.9 mt -61.28 -41.54 97.12 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.402 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 68.6 mt -61.95 -45.31 94.22 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 123.231 0.332 . . . . 0.0 110.857 -179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 80.1 mtp85 -66.7 -39.06 87.91 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.935 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -62.92 -39.66 95.23 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.467 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -62.83 -11.03 34.88 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 58.07 31.34 20.56 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 120.781 0.324 . . . . 0.0 111.235 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -71.4 -41.41 69.63 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.591 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.3 p -139.1 162.05 35.89 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.523 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -66.87 -39.23 87.47 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.676 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -137.48 147.75 45.51 Favored 'General case' 0 C--O 1.233 0.211 0 O-C-N 123.312 0.383 . . . . 0.0 110.699 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' VAL . . . . . . . . . . . . . 58.5 t -122.12 136.72 58.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.63 179.7 53.34 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.463 -0.655 . . . . 0.0 111.463 -179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.48 ' O ' HG23 ' A' ' 138' ' ' VAL . . . -93.1 -38.7 11.46 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-N 115.531 -0.335 . . . . 0.0 110.797 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -65.53 -37.8 94.07 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.653 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.777 ' HB3' ' HD3' ' A' ' 137' ' ' PRO . . . -57.7 -59.7 12.21 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-O 118.962 -0.542 . . . . 0.0 110.722 -179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PRO . . . . . 0.777 ' HD3' ' HB3' ' A' ' 136' ' ' ALA . 42.3 Cg_exo -54.12 -39.07 87.38 Favored 'Trans proline' 0 N--CA 1.499 1.812 0 C-N-CA 121.686 1.591 . . . . 0.0 111.541 178.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 134' ' ' ALA . 92.5 t -62.61 -46.33 96.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -62.04 -45.28 94.23 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.415 0.447 . . . . 0.0 110.302 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.495 HD13 HG21 ' A' ' 49' ' ' ILE . 39.3 tp -62.5 -41.5 98.86 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.56 -179.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ALA . . . . . 0.436 ' HB3' HD13 ' A' ' 112' ' ' LEU . . . -61.26 -38.36 86.44 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.989 -179.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.493 ' HB1' ' HB3' ' A' ' 89' ' ' GLU . . . -65.59 -40.29 92.52 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.983 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' VAL . . . . . . . . . . . . . 68.9 t -63.82 -44.07 98.07 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.166 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 69.2 mt -63.33 -39.98 96.05 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -62.25 -41.17 98.2 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.32 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.434 ' CZ ' ' HB3' ' A' ' 85' ' ' HIS . 84.9 t80 -61.43 -46.22 91.04 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.317 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 65.5 mt -61.0 -41.67 96.98 Favored 'General case' 0 C--O 1.234 0.265 0 O-C-N 123.396 0.435 . . . . 0.0 110.928 -179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' THR . . . . . . . . . . . . . 8.4 m -61.93 -45.28 94.37 Favored 'General case' 0 C--O 1.233 0.193 0 O-C-N 123.401 0.438 . . . . 0.0 110.664 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.59 -38.86 84.63 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.679 -179.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -66.25 -42.67 88.22 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.352 0.407 . . . . 0.0 111.228 -178.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 84.9 mt -65.19 -42.98 95.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 O-C-N 123.424 0.453 . . . . 0.0 109.958 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.18 -40.58 97.93 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.794 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -65.48 -47.3 76.55 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 123.075 0.234 . . . . 0.0 110.716 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.42 ' CD1' HD11 ' A' ' 182' ' ' LEU . 77.3 mt -63.78 -41.61 97.92 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.51 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ALA . . . . . . . . . . . . . . . -61.87 -36.52 81.51 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.337 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . -61.39 -42.2 99.71 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -60.96 -44.7 96.95 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 121.147 -0.221 . . . . 0.0 110.539 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.52 91.42 Favored 'General case' 0 C--O 1.234 0.244 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' ALA . . . . . 0.595 ' HB1' ' O ' ' A' ' 164' ' ' LYS . . . -62.21 -38.32 88.71 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.313 179.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -62.21 -38.86 90.77 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.355 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -63.48 -25.35 68.22 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.67 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -95.09 14.96 20.26 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.43 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 56.62 28.15 13.6 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 120.694 0.283 . . . . 0.0 111.356 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' LYS . . . . . 0.595 ' O ' ' HB1' ' A' ' 159' ' ' ALA . 71.5 tttt -135.33 125.18 25.58 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.342 179.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' THR . . . . . . . . . . . . . 33.0 p -74.06 -33.92 63.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.213 179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -62.14 148.51 44.18 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.225 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ILE . . . . . . . . . . . . . 69.3 mt -105.49 128.5 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ILE . . . . . . . . . . . . . 13.3 pt -124.72 164.92 28.04 Favored Pre-proline 0 N--CA 1.474 0.734 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.168 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -50.35 -36.69 48.57 Favored 'Trans proline' 0 N--CA 1.501 1.949 0 C-N-CA 122.231 1.954 . . . . 0.0 112.065 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ARG . . . . . . . . . . . . . 89.8 mtm-85 -63.83 -39.85 95.19 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.407 0.442 . . . . 0.0 109.965 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' HIS . . . . . . . . . . . . . 53.3 m170 -65.8 -42.25 90.92 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.616 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 31.9 mt -62.21 -42.65 99.49 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -65.24 -43.03 92.67 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 174' ' ' LEU . 5.5 tt -61.52 -43.35 99.03 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.597 -179.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' ALA . . . . . 0.417 ' HA ' ' ND2' ' A' ' 178' ' ' ASN . . . -60.71 -44.74 96.22 Favored 'General case' 0 C--O 1.235 0.299 0 O-C-N 123.507 0.504 . . . . 0.0 111.532 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' ILE . . . . . 0.608 HD13 ' CD1' ' A' ' 186' ' ' LEU . 96.2 mt -67.95 -43.49 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 O-C-N 123.419 0.45 . . . . 0.0 110.866 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -62.04 -35.78 79.62 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.203 0.445 . . . . 0.0 112.203 -178.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 175' ' ' ALA . 1.1 p30 -82.03 -15.82 52.31 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 121.004 -0.278 . . . . 0.0 111.238 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -100.84 114.87 29.08 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.277 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -60.94 -36.0 78.2 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.548 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' GLU . . . . . . . . . . . . . 55.7 mp0 -66.34 -47.22 74.19 Favored 'General case' 0 C--O 1.234 0.239 0 O-C-N 123.326 0.391 . . . . 0.0 111.465 -179.301 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' LEU . . . . . 0.584 ' HB3' HG23 ' A' ' 176' ' ' ILE . 73.7 mt -64.97 -40.22 94.66 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.211 0.32 . . . . 0.0 110.9 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -61.09 -40.43 93.69 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.365 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -62.96 -45.72 91.1 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.635 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 37.4 tp -66.71 -42.7 85.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.885 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' LEU . . . . . 0.608 ' CD1' HD13 ' A' ' 176' ' ' ILE . 71.9 mt -96.98 21.27 9.95 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.973 -178.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' GLY . . . . . . . . . . . . . . . -54.67 -40.2 69.93 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -108.24 29.65 7.14 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.622 0.249 . . . . 0.0 111.627 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' VAL . . . . . . . . . . . . . 99.1 t -127.68 130.83 70.36 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' THR . . . . . . . . . . . . . 41.6 m -106.0 124.15 49.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.44 -0.8 . . . . 0.0 109.66 179.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ILE . . . . . . . . . . . . . 45.3 mm -68.26 -43.17 84.83 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.378 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' ALA . . . . . . . . . . . . . . . -51.13 142.65 12.12 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.041 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 55.64 97.32 0.02 OUTLIER 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.278 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.745 0 CA-C-O 117.978 -1.457 . . . . 0.0 111.0 -179.998 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.425 ' HG3' HG23 ' B' ' 3' ' ' ILE . 6.3 ptp . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -110.97 126.98 55.34 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 177.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.425 HG23 ' HG3' ' B' ' 1' ' ' MET . 38.8 pt -131.94 160.55 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.286 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -117.25 132.43 56.62 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.581 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -108.45 113.5 44.14 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -101.26 151.63 21.64 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.107 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 70.1 p -125.88 162.12 25.89 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.498 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.17 -18.23 64.55 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.368 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 61.9 p -69.32 -21.49 63.84 Favored 'General case' 0 N--CA 1.44 -0.935 0 O-C-N 119.997 -1.69 . . . . 0.0 111.231 177.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.52 15.39 27.44 Favored Glycine 0 C--N 1.355 1.611 0 O-C-N 121.285 -0.884 . . . . 0.0 112.492 -172.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 tptt -101.71 138.41 38.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 117.017 0.408 . . . . 0.0 110.043 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 34.1 m -122.0 128.71 51.76 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.89 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.622 HD12 ' CD ' ' B' ' 33' ' ' LYS . 48.6 pt -125.67 138.96 52.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.277 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -80.22 132.65 35.91 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-O 121.769 0.795 . . . . 0.0 109.701 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 18.6 tp -138.13 135.41 35.71 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 119.339 -0.945 . . . . 0.0 110.525 177.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 75.3 tt0 -109.37 115.52 30.12 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.026 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 m -137.17 157.65 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.993 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -91.28 151.07 42.52 Favored Pre-proline 0 CA--C 1.539 0.519 0 O-C-N 123.31 0.381 . . . . 0.0 110.672 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -56.49 -31.45 86.13 Favored 'Trans proline' 0 N--CA 1.501 1.917 0 C-N-CA 122.148 1.899 . . . . 0.0 112.331 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 84.6 p -79.13 -13.79 59.52 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -66.39 142.3 57.65 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 120.603 0.239 . . . . 0.0 110.665 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -81.14 161.39 24.09 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.932 -179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.4 mm -63.93 -42.02 94.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.504 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -54.81 -39.9 68.98 Favored 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -63.02 -40.95 99.27 Favored 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.32 0.388 . . . . 0.0 110.061 178.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 67.6 t -61.91 -43.69 97.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.401 ' CG ' HD11 ' B' ' 43' ' ' LEU . 98.0 mttt -60.69 -37.92 83.26 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.958 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.2 -40.23 93.17 Favored 'General case' 0 C--O 1.235 0.329 0 O-C-N 123.251 0.345 . . . . 0.0 110.491 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.1 -39.94 96.18 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.242 -0.436 . . . . 0.0 109.99 179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.05 -41.72 93.93 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -56.04 -38.36 70.46 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -66.78 -35.56 80.36 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.983 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.622 ' CD ' HD12 ' B' ' 13' ' ' ILE . 63.7 mttp -78.4 -46.34 20.16 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.132 1.16 . . . . 0.0 114.132 -178.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -94.62 -38.2 10.97 Favored 'General case' 0 N--CA 1.442 -0.828 0 N-CA-C 115.534 1.679 . . . . 0.0 115.534 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 86.91 29.82 22.27 Favored Glycine 0 C--N 1.352 1.437 0 C-N-CA 124.72 1.153 . . . . 0.0 111.753 -170.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 65.5 mt -99.05 128.49 31.95 Favored Pre-proline 0 CA--C 1.55 0.98 0 CA-C-O 119.147 -0.454 . . . . 0.0 110.309 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -52.78 126.04 19.94 Favored 'Trans proline' 0 N--CA 1.503 2.049 0 C-N-CA 122.176 1.917 . . . . 0.0 111.416 179.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -55.54 -33.35 86.27 Favored 'Trans proline' 0 N--CA 1.505 2.154 0 C-N-CA 122.393 2.062 . . . . 0.0 112.912 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.497 ' O ' ' HD2' ' B' ' 72' ' ' ARG . 25.9 t0 -64.99 -34.2 77.87 Favored 'General case' 0 N--CA 1.431 -1.408 0 O-C-N 120.866 -1.146 . . . . 0.0 108.748 -179.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -87.35 11.12 15.22 Favored 'General case' 0 C--N 1.346 0.431 0 C-N-CA 122.606 0.363 . . . . 0.0 111.662 -170.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -130.76 142.72 50.42 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 123.025 0.203 . . . . 0.0 110.981 -178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.9 mtp85 -115.16 144.0 44.36 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.134 -0.485 . . . . 0.0 109.849 178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.404 ' HB3' HD12 ' B' ' 50' ' ' LEU . 78.1 mt -113.88 134.0 55.08 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.628 HD11 HD12 ' C' ' 676' ' ' LEU . 98.3 mt -126.35 139.43 51.66 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 O-C-N 123.372 0.42 . . . . 0.0 110.714 -179.019 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -123.78 123.82 41.33 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 56.19 27.82 12.21 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.55 -178.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.12 15.61 74.17 Favored Glycine 0 CA--C 1.533 1.191 0 CA-C-N 116.401 -0.363 . . . . 0.0 112.452 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -112.44 135.22 53.39 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 117.056 0.428 . . . . 0.0 110.052 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -60.33 148.25 37.65 Favored 'General case' 0 CA--C 1.517 -0.302 0 O-C-N 123.375 0.422 . . . . 0.0 110.669 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.404 HD12 ' HB3' ' B' ' 43' ' ' LEU . 82.0 mt -117.83 130.05 56.04 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -90.02 141.38 28.72 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.007 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -64.4 -39.18 93.34 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.676 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.64 3.33 49.9 Favored Glycine 0 CA--C 1.537 1.417 0 O-C-N 123.535 0.522 . . . . 0.0 113.073 -179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -105.02 159.74 15.58 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 117.364 0.582 . . . . 0.0 110.952 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 73.9 p -101.74 163.24 12.36 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.655 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 70.4 mt -62.79 -40.79 98.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.592 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 91.8 p -59.82 -30.08 68.68 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.717 -179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -65.08 -31.51 72.76 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.192 0.308 . . . . 0.0 111.238 -179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 38.3 m-85 -91.12 15.33 11.92 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.93 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 63.1 t30 65.77 45.43 2.59 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.208 0.528 . . . . 0.0 111.265 179.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 69.9 mt -105.12 111.8 36.06 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 N-CA-C 108.712 -0.848 . . . . 0.0 108.712 179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . 0.403 ' O ' ' SD ' ' B' ' 1' ' ' MET . 95.6 mm-40 -99.49 -66.71 0.89 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.628 -179.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -153.29 152.1 30.77 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 45.2 mp0 48.51 74.9 0.16 Allowed 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.147 0.498 . . . . 0.0 111.041 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 42.1 p -120.74 148.25 44.22 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.066 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 27.2 m -105.72 124.04 48.92 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 123.38 0.425 . . . . 0.0 110.34 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.406 HD12 HD12 ' B' ' 3' ' ' ILE . 45.9 mt -114.92 124.85 52.74 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.822 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -87.58 144.76 26.52 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.013 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 23.2 tp -110.62 129.53 55.79 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.205 0.526 . . . . 0.0 111.757 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.731 HG22 ' HB1' ' C' ' 673' ' ' ALA . 13.5 t -127.1 166.84 22.97 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.237 0 CA-C-N 115.105 -0.952 . . . . 0.0 108.653 179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.503 ' N ' HG12 ' B' ' 70' ' ' VAL . 13.9 tp -107.84 113.59 26.92 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.524 -178.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.497 ' HD2' ' O ' ' B' ' 39' ' ' ASP . 42.2 ttm180 -81.12 134.73 35.7 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 57.3 mt -117.43 103.19 9.87 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.77 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 60.9 ttm-85 -111.85 140.91 46.11 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.152 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.42 136.56 28.25 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.674 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 650' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.298 -1.521 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 651' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -152.73 165.18 36.13 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.53 0.205 . . . . 0.0 110.632 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 652' ' ' MET . . . . . . . . . . . . . 96.1 mmm -122.95 149.73 43.88 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.567 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 653' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.12 138.3 5.13 Favored Pre-proline 0 CA--C 1.547 0.862 0 CA-C-O 119.19 -0.433 . . . . 0.0 110.411 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 654' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.13 -17.71 35.74 Favored 'Trans proline' 0 N--CA 1.503 2.053 0 C-N-CA 122.251 1.967 . . . . 0.0 112.899 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 655' ' ' VAL . . . . . 0.485 HG12 ' CE ' ' C' ' 659' ' ' MET . 50.2 t -62.58 -42.99 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 656' ' ' LEU . . . . . 0.429 ' HA ' ' HE2' ' C' ' 659' ' ' MET . 27.0 mt -61.21 -42.46 98.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.469 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 657' ' ' ARG . . . . . . . . . . . . . 92.6 mtm-85 -63.45 -41.05 98.63 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 123.332 0.395 . . . . 0.0 110.179 179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 658' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -66.06 -37.73 86.56 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.61 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 659' ' ' MET . . . . . 0.485 ' CE ' HG12 ' C' ' 655' ' ' VAL . 51.8 mtm -64.33 -38.48 91.18 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.619 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 660' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.74 -44.09 97.12 Favored 'General case' 0 N--CA 1.464 0.23 0 O-C-N 123.191 0.307 . . . . 0.0 110.439 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 661' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -66.71 -43.73 83.54 Favored 'General case' 0 C--O 1.238 0.468 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.982 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 662' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -64.08 -39.74 94.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.292 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 663' ' ' LEU . . . . . . . . . . . . . 31.3 mt -62.52 -38.54 90.33 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 664' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -62.52 -42.46 99.53 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.152 0.282 . . . . 0.0 110.666 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 665' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -72.87 -41.59 64.56 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.216 179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 666' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -65.01 -44.79 88.04 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.589 -179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 667' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -68.1 -32.59 73.01 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.568 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 668' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -59.37 -43.71 92.84 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 669' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.58 -38.87 92.51 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.308 179.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 670' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -63.29 -38.33 90.73 Favored 'General case' 0 CA--C 1.52 -0.182 0 O-C-N 123.429 0.456 . . . . 0.0 110.887 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 671' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -63.02 -45.9 90.13 Favored 'General case' 0 C--O 1.235 0.334 0 O-C-N 123.349 0.405 . . . . 0.0 109.995 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 672' ' ' LEU . . . . . 0.497 ' C ' HD13 ' C' ' 672' ' ' LEU . 3.0 tm? -65.37 -42.37 92.81 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 178.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 673' ' ' ALA . . . . . 0.731 ' HB1' HG22 ' B' ' 70' ' ' VAL . . . -61.56 -38.1 86.24 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.584 -0.734 . . . . 0.0 110.346 179.038 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 674' ' ' LEU . . . . . . . . . . . . . 20.5 tp -61.6 -39.47 91.36 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.008 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 675' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -61.92 -42.58 99.26 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.429 0.455 . . . . 0.0 109.845 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 676' ' ' LEU . . . . . 0.628 HD12 HD11 ' B' ' 44' ' ' ILE . 87.1 mt -64.6 -42.93 95.23 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 178.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 677' ' ' GLN . . . . . . . . . . . . . 70.1 tp60 -60.17 -43.0 96.16 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.123 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 678' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -69.89 -41.54 74.61 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 123.418 0.449 . . . . 0.0 111.296 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 679' ' ' MET . . . . . . . . . . . . . 53.3 mtp -63.6 -44.41 94.07 Favored 'General case' 0 C--O 1.234 0.269 0 O-C-N 123.303 0.377 . . . . 0.0 111.414 -179.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 680' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -67.61 -39.76 84.74 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.692 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 681' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -63.92 -34.34 77.75 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.44 0.462 . . . . 0.0 110.518 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 682' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.65 -40.27 94.32 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.557 -179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 683' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -65.1 -40.26 94.3 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 109.836 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 684' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -65.94 -46.32 78.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 685' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -137.17 147.17 45.74 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.88 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 686' ' ' THR . . . . . . . . . . . . . 35.6 p -56.41 -44.5 80.39 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.662 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 687' ' ' VAL . . . . . . . . . . . . . 10.8 p -144.87 150.36 16.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.411 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.793 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 688' ' ' SER . . . . . . . . . . . . . 40.3 t -113.27 131.43 55.92 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 689' ' ' ARG . . . . . . . . . . . . . 87.0 mtm-85 -107.75 141.68 38.93 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.336 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 690' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -127.24 96.44 4.59 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.556 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 691' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.44 -45.6 86.77 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.628 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 692' ' ' GLY . . . . . . . . . . . . . . . 54.9 18.99 12.71 Favored Glycine 0 CA--C 1.536 1.378 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 693' ' ' SER . . . . . . . . . . . . . 12.1 t -66.81 -42.8 85.33 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.707 0.289 . . . . 0.0 110.712 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 694' ' ' VAL . . . . . 0.495 HG22 ' H ' ' C' ' 696' ' ' GLN . 11.7 p -123.26 131.66 72.78 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.443 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 695' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -118.64 22.21 12.14 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.157 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 696' ' ' GLN . . . . . 0.495 ' H ' HG22 ' C' ' 694' ' ' VAL . 12.5 pt20 -154.52 175.16 13.96 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.455 -179.547 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 697' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -67.72 147.03 53.19 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 698' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 85' ' ' HIS . 21.6 tp -60.61 127.68 32.89 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.284 -179.153 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 699' ' ' LEU . . . . . . . . . . . . . 74.8 mt -128.89 154.77 46.18 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.913 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 700' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -77.09 -12.34 59.93 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.037 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 701' ' ' SER . . . . . . . . . . . . . 74.4 m -57.94 -41.08 82.07 Favored 'General case' 0 C--N 1.343 0.308 0 O-C-N 122.982 0.176 . . . . 0.0 110.79 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 702' ' ' SER . . . . . . . . . . . . . 22.6 t -73.19 104.91 4.4 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.813 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 703' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -97.18 18.36 15.14 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.259 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 704' ' ' MET . . . . . . . . . . . . . 10.9 tpp -63.07 -41.0 99.35 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.363 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 705' ' ' ALA . . . . . . . . . . . . . . . 48.48 90.71 0.02 OUTLIER 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.789 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 706' ' ' GLY . . . . . . . . . . . . . . . -97.52 118.93 6.23 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 707' ' ' ALA . . . . . . . . . . . . . . . -110.51 140.0 45.2 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 708' ' ' LYS . . . . . . . . . . . . . 62.7 tttm . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.922 -1.037 . . . . 0.0 110.266 179.906 . . . . . . . . 0 0 . 1 stop_ save_