data_5k57_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 5k57 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo . . . . . 0 C--O 1.219 -0.433 0 N-CA-C 113.175 0.413 . . . . 50.0 113.175 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.92 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.868 0.366 . . . . 25.0 110.192 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.49 -39.29 67.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.733 -0.667 . . . . 50.0 110.688 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.77 -42.23 91.1 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.76 -0.376 . . . . 50.0 110.508 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.33 -43.85 88.42 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 108.46 -0.941 . . . . 50.0 108.46 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -46.63 85.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.638 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.65 -42.98 99.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.804 0.335 . . . . 50.0 110.999 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.01 -42.65 97.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.428 -0.351 . . . . 75.0 111.337 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.92 -35.12 79.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.913 0.387 . . . . 50.0 110.071 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -10.98 59.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -116.79 101.9 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 112.641 0.608 . . . . 50.0 112.641 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -66.49 -24.74 48.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.646 1.364 . . . . 50.0 115.646 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.04 -43.35 44.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.731 0.777 . . . . 25.0 110.455 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.9 -41.08 71.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.451 -0.795 . . . . 50.0 108.88 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -30.3 71.26 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.916 -0.49 . . . . 50.0 110.872 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -74.67 -41.03 61.04 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.869 0.468 . . . . 25.0 111.412 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -33.73 74.38 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.2 tp -64.68 -44.23 90.99 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.366 -0.834 . . . . 50.0 112.048 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.02 -26.24 64.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.925 -0.71 . . . . 50.0 112.596 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.67 -51.89 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.242 0.544 . . . . 50.0 110.863 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -82.37 -34.09 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.75 1.389 . . . . 50.0 114.75 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -135.19 69.05 69.72 Favored Pre-proline 0 C--O 1.243 0.715 0 N-CA-C 113.56 0.948 . . . . 50.0 113.56 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -55.4 -35.8 92.6 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 N-CA-C 118.394 2.421 . . . . 50.0 118.394 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.22 -29.37 26.57 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.5 -4.534 . . . . 50.0 115.84 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.9 tp -75.51 -35.44 60.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 120.658 -1.276 . . . . 50.0 108.09 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.67 82.49 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 115.604 -0.725 . . . . 25.0 112.75 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -61.46 -31.29 71.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.929 0.786 . . . . 50.0 110.974 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.23 90.32 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.369 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.48 -42.46 74.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.362 -0.381 . . . . 50.0 110.507 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.76 -27.27 69.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.555 0.693 . . . . 50.0 110.343 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -78.19 -17.53 56.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.05 -0.977 . . . . 50.0 112.353 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.03 -31.82 4.24 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 114.757 0.663 . . . . 25.0 114.757 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -58.43 109.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.783 0.833 . . . . 50.0 112.466 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.42 -36.66 83.08 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.928 -1.138 . . . . 50.0 107.928 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.83 -44.07 86.21 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.776 -0.578 . . . . 50.0 112.307 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.22 -34.55 61.48 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.668 -0.645 . . . . 50.0 110.1 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.8 -49.88 75.72 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.555 -0.458 . . . . 50.0 110.004 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -62.92 -43.52 98.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.606 0.595 . . . . 50.0 112.606 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.72 -47.7 83.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.318 . . . . 50.0 110.18 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.03 -32.6 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tp -57.12 -44.57 83.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.872 -0.517 . . . . 50.0 110.493 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.5 t -68.13 -43.16 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 120.655 0.264 . . . . 50.0 110.514 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.276 0.56 . . . . 50.0 110.185 178.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 C--O 1.219 -0.468 0 CA-C-O 121.111 0.379 . . . . 50.0 112.007 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.02 99.74 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.007 -0.433 . . . . 25.0 110.547 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.32 -34.46 48.59 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.459 -0.337 . . . . 75.0 111.244 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.23 -40.18 93.7 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.678 -0.49 . . . . 50.0 109.678 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.53 -41.86 90.97 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.94 -0.763 . . . . 50.0 108.94 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -66.56 -46.26 76.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 50.0 111.069 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.1 ttp -62.56 -41.17 98.74 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.339 -0.391 . . . . 50.0 110.739 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.1 -42.37 94.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.697 0.284 . . . . 50.0 111.452 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.85 -36.42 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 50.0 110.439 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.98 60.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.396 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -114.14 99.1 50.06 Favored Pre-proline 0 C--O 1.238 0.452 0 N-CA-C 112.478 0.548 . . . . 50.0 112.478 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.92 -26.47 59.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 N-CA-C 115.583 1.34 . . . . 50.0 115.583 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -77.02 -40.65 45.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.863 0.839 . . . . 25.0 110.946 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.82 -34.06 69.02 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.701 0.763 . . . . 50.0 109.271 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 -30.77 61.63 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.593 -0.692 . . . . 50.0 111.221 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.1 p -75.78 -39.5 56.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.154 -0.341 . . . . 25.0 111.783 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.96 -31.57 72.23 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 108.923 -0.769 . . . . 50.0 108.923 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -66.43 -43.23 86.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.913 -0.585 . . . . 50.0 112.409 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.95 -26.79 65.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.236 -0.586 . . . . 50.0 111.668 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.52 -52.97 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.175 0.512 . . . . 50.0 111.584 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -90.28 -24.65 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.775 1.768 . . . . 50.0 115.775 -170.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.89 67.21 41.68 Favored Pre-proline 0 C--O 1.241 0.618 0 N-CA-C 112.794 0.664 . . . . 50.0 112.794 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -56.31 -33.65 91.92 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 N-CA-C 118.362 2.409 . . . . 50.0 118.362 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -68.4 -29.44 31.38 Favored 'Trans proline' 0 C--N 1.363 1.321 1 C-N-CA 112.049 -4.834 . . . . 50.0 115.203 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -76.98 -36.0 56.77 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.963 -1.086 . . . . 50.0 108.545 175.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.32 73.93 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 120.097 -0.641 . . . . 25.0 112.231 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.68 -30.77 67.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.732 0.696 . . . . 50.0 111.199 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -65.39 -39.79 92.66 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.655 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.21 -45.94 65.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.838 -0.619 . . . . 50.0 110.168 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.96 -30.45 71.53 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 121.907 0.86 . . . . 50.0 110.266 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 t -73.53 -18.95 61.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.024 -0.989 . . . . 50.0 112.327 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.33 -20.72 15.83 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 113.993 0.357 . . . . 25.0 113.993 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -70.66 112.12 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.145 0.497 . . . . 50.0 111.701 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.75 -34.4 77.13 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.174 -0.676 . . . . 50.0 109.174 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.35 -52.02 66.13 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.557 0.694 . . . . 50.0 110.178 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 15.0 ptmt -69.88 -34.88 74.15 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.817 -0.753 . . . . 50.0 110.666 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.87 -50.62 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.164 0.438 . . . . 50.0 111.196 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -61.67 -42.6 99.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.797 0.439 . . . . 50.0 111.577 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.66 -49.05 79.08 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.661 -0.649 . . . . 50.0 110.045 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.19 -32.2 54.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.97 -0.752 . . . . 50.0 108.97 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.93 -43.69 86.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.727 -0.389 . . . . 50.0 111.208 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.82 -42.32 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.993 0.425 . . . . 50.0 110.393 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.604 0.716 . . . . 50.0 109.269 179.811 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo . . . . . 0 C--O 1.215 -0.63 0 N-CA-C 113.383 0.493 . . . . 50.0 113.383 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.82 89.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.198 -0.314 . . . . 25.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -38.94 66.43 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.857 -0.423 . . . . 50.0 109.857 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.56 -42.56 95.59 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.896 -0.322 . . . . 50.0 110.333 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -58.26 -44.99 88.61 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.764 -0.458 . . . . 50.0 109.764 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.7 -45.23 93.71 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.005 0.431 . . . . 50.0 111.155 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.1 ttp -64.24 -41.66 96.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.538 -0.301 . . . . 50.0 111.181 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.1 -40.68 90.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.763 0.316 . . . . 50.0 111.602 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.73 -36.23 82.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 50.0 109.872 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.79 -17.13 51.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -105.96 101.91 36.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 112.592 0.59 . . . . 50.0 112.592 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.96 -26.9 43.38 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 N-CA-C 115.409 1.273 . . . . 50.0 115.409 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -76.14 -43.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.612 -0.68 . . . . 25.0 110.932 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.55 -39.84 70.41 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.152 -0.684 . . . . 50.0 109.152 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -30.27 71.34 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.745 -0.597 . . . . 75.0 110.931 177.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -74.75 -41.05 60.83 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.084 0.554 . . . . 25.0 111.885 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.02 -33.79 75.27 Favored 'General case' 0 CA--C 1.479 -1.782 0 N-CA-C 108.374 -0.973 . . . . 50.0 108.374 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.48 -46.21 87.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.314 -0.857 . . . . 50.0 111.954 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.47 -27.23 65.96 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 120.026 -0.67 . . . . 50.0 112.407 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -76.39 -47.58 22.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.621 0.6 . . . . 50.0 112.621 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.72 -33.46 16.58 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.749 1.388 . . . . 50.0 114.749 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -133.87 69.84 75.19 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 113.463 0.912 . . . . 50.0 113.463 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.72 -37.03 91.77 Favored 'Trans proline' 0 CA--C 1.551 1.371 0 N-CA-C 118.533 2.474 . . . . 50.0 118.533 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.63 -29.64 24.18 Favored 'Trans proline' 0 C--N 1.361 1.222 1 C-N-CA 112.511 -4.526 . . . . 50.0 116.096 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.43 -33.46 60.91 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.707 -1.245 . . . . 50.0 107.943 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.09 -49.45 72.2 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 118.817 -0.611 . . . . 25.0 112.477 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.68 -32.51 70.56 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.812 0.733 . . . . 50.0 110.698 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.5 -45.25 93.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.886 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.43 -42.1 92.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.745 . . . . 75.0 110.081 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -63.17 -29.92 71.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.267 0.556 . . . . 50.0 110.698 -174.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.8 m -74.47 -21.8 59.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.614 -0.721 . . . . 50.0 112.362 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.64 -17.2 31.66 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-O 121.144 0.302 . . . . 25.0 112.971 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -64.84 115.27 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 50.0 111.652 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.72 -36.46 82.52 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.851 -0.426 . . . . 50.0 109.851 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.68 -50.63 73.12 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.841 -0.537 . . . . 50.0 111.285 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.1 ptmt -67.71 -36.77 81.24 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.006 -0.739 . . . . 50.0 109.006 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.45 -50.75 66.3 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.384 0.513 . . . . 50.0 112.384 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -63.6 -39.65 94.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.197 0.523 . . . . 50.0 110.95 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -49.6 65.77 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.75 -0.463 . . . . 50.0 109.75 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.2 -29.45 45.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.524 -0.917 . . . . 50.0 108.524 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 tp -58.11 -43.9 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 122.152 -0.342 . . . . 75.0 110.382 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.35 -42.76 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.909 -0.404 . . . . 50.0 109.909 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.714 0.769 . . . . 50.0 109.331 178.799 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo . . . . . 0 C--O 1.216 -0.61 0 N-CA-C 113.377 0.491 . . . . 50.0 113.377 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.01 95.47 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.955 -0.298 . . . . 25.0 110.581 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -77.83 -34.48 51.92 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.192 -0.458 . . . . 50.0 110.673 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -66.1 -41.33 90.77 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.419 -0.513 . . . . 50.0 110.242 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -59.17 -42.86 91.78 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.262 -1.014 . . . . 50.0 108.262 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -45.53 86.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.951 -0.568 . . . . 50.0 111.79 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.89 -48.25 82.47 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.033 0.444 . . . . 50.0 110.292 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.9 -0.591 . . . . 50.0 111.55 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.26 -34.71 78.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.808 0.337 . . . . 50.0 110.518 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.01 -8.19 59.59 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -119.38 99.29 50.27 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 112.348 0.499 . . . . 50.0 112.348 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.28 -24.71 57.77 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 N-CA-C 115.345 1.248 . . . . 50.0 115.345 -176.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -76.49 -42.65 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.618 0.723 . . . . 25.0 110.788 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.14 -37.94 69.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 50.0 109.466 -174.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -29.33 68.7 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.969 -0.457 . . . . 50.0 110.221 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -73.29 -45.93 52.68 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.678 0.391 . . . . 25.0 111.089 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -63.8 -29.92 71.07 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.087 -1.008 . . . . 50.0 110.318 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.67 -43.43 80.22 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 114.59 -1.186 . . . . 50.0 112.619 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -70.37 -28.22 64.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 119.677 -0.809 . . . . 50.0 111.217 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -72.87 -52.03 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.032 0.444 . . . . 50.0 111.116 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -90.39 -25.97 20.13 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.159 1.911 . . . . 50.0 116.159 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -136.87 68.72 58.24 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 113.411 0.893 . . . . 50.0 113.411 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.29 -35.37 91.22 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.604 2.502 . . . . 50.0 118.604 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.86 -28.86 29.27 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.411 -4.593 . . . . 50.0 115.681 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -75.68 -34.4 60.43 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.205 . . . . 50.0 108.174 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.9 78.55 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 112.917 0.71 . . . . 25.0 112.917 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.8 -31.39 69.65 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.952 0.797 . . . . 50.0 111.045 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.48 -38.7 91.93 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.616 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.1 tp -68.17 -42.51 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 50.0 110.172 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.82 -27.97 69.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 50.0 111.154 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 m -75.22 -20.44 59.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.727 -0.669 . . . . 50.0 112.21 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.5 -29.34 4.47 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-O 121.192 0.329 . . . . 25.0 112.601 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -55.21 102.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.729 1.212 . . . . 50.0 112.103 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.28 -35.35 77.08 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.591 -1.263 . . . . 50.0 107.591 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.2 -44.98 88.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.361 0.504 . . . . 50.0 112.361 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -76.74 -31.91 57.43 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 119.05 0.841 . . . . 50.0 110.299 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -60.31 -51.72 68.33 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.606 -0.438 . . . . 50.0 110.301 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -63.3 -38.97 93.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.867 0.365 . . . . 50.0 111.556 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -61.01 -49.03 79.07 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 110.368 -0.234 . . . . 50.0 110.368 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.92 -34.31 63.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 121.488 -0.757 . . . . 50.0 108.968 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 tp -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.086 -0.384 . . . . 50.0 111.186 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -74.4 -35.05 38.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 C-N-CA 120.436 -0.506 . . . . 50.0 111.199 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 N--CA 1.474 0.756 0 O-C-N 121.54 -0.725 . . . . 50.0 109.896 176.334 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HB3' HD23 ' A' ' 61' ' ' LEU . 36.6 Cg_endo . . . . . 0 C--O 1.22 -0.388 0 N-CA-C 112.471 0.143 . . . . 50.0 112.471 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.47 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.245 -0.279 . . . . 25.0 110.245 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.17 -41.05 67.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 50.0 110.661 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.97 -40.26 91.1 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.362 -0.535 . . . . 50.0 110.669 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.94 -44.04 91.33 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.974 -0.75 . . . . 50.0 108.974 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.71 -45.59 82.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.004 0.43 . . . . 50.0 111.39 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.9 ttp -62.11 -40.7 96.77 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 121.0 0.428 . . . . 50.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.8 -43.66 95.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.951 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -64.45 -35.92 82.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 50.0 109.875 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.54 -14.57 59.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -110.28 99.02 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.936 0.398 . . . . 50.0 112.023 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.9 -23.97 54.13 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 115.086 1.149 . . . . 50.0 115.086 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -76.93 -44.42 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.266 0.555 . . . . 25.0 111.183 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.64 -41.41 72.19 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -28.75 70.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.236 -0.438 . . . . 50.0 110.631 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -75.15 -44.04 49.05 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.984 0.514 . . . . 25.0 111.016 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.8 -30.04 68.52 Favored 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 121.843 0.83 . . . . 50.0 109.185 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.4 tp -65.17 -45.26 85.63 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.703 -1.135 . . . . 50.0 111.543 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.1 -26.07 63.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 119.854 -0.738 . . . . 50.0 112.072 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.79 -52.14 12.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.208 0.528 . . . . 50.0 111.252 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -95.04 -21.35 18.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.179 1.918 . . . . 50.0 116.179 -171.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -135.88 65.6 59.92 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -55.75 -34.82 92.13 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 118.528 2.472 . . . . 50.0 118.528 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.04 -31.75 29.64 Favored 'Trans proline' 0 C--N 1.362 1.28 1 C-N-CA 112.722 -4.385 . . . . 50.0 115.467 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -76.0 -34.7 59.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 120.876 -1.14 . . . . 50.0 108.53 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.51 77.16 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.56 -31.42 70.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.749 0.704 . . . . 50.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.96 -40.05 94.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.48 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.12 -41.84 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.252 -0.431 . . . . 50.0 110.408 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.19 -28.18 69.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.096 0.474 . . . . 50.0 111.044 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -75.93 -19.69 58.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 50.0 112.445 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.38 -30.92 3.93 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 122.183 -0.323 . . . . 25.0 113.413 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -55.81 104.6 0.14 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.432 1.093 . . . . 50.0 112.54 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.43 -33.32 73.52 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 107.697 -1.223 . . . . 50.0 107.697 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.48 -52.51 61.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.081 0.467 . . . . 50.0 111.587 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.78 -34.02 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.401 -0.52 . . . . 50.0 110.626 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.69 -50.5 73.6 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.771 -0.372 . . . . 50.0 110.397 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.2 t -62.27 -44.83 95.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.235 0.457 . . . . 50.0 112.235 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.9 -46.06 88.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.07 -0.394 . . . . 50.0 110.699 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.6 t -72.11 -32.48 43.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 50.0 108.948 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -57.99 -45.03 87.43 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 122.229 -0.294 . . . . 75.0 110.343 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.01 -42.92 89.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 50.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 . . . . . 0 C--N 1.321 -0.668 0 O-C-N 121.697 -0.627 . . . . 50.0 110.82 178.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo . . . . . 0 C--O 1.213 -0.754 0 N-CA-C 112.626 0.202 . . . . 50.0 112.626 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.49 89.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.486 0.184 . . . . 25.0 110.938 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.46 -40.09 67.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.861 0.362 . . . . 50.0 110.647 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.28 -40.35 90.01 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.814 -0.355 . . . . 50.0 110.882 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.14 -44.47 92.06 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.842 -1.17 . . . . 50.0 107.842 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -43.88 92.79 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.554 -0.748 . . . . 50.0 111.919 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.5 ttp -62.59 -43.83 97.84 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.75 0.31 . . . . 50.0 110.963 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.64 -42.3 98.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.778 0.323 . . . . 50.0 111.725 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.44 -35.76 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.061 0.458 . . . . 50.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -11.78 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.52 102.11 54.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 O-C-N 121.888 -0.507 . . . . 50.0 112.24 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -65.92 -25.67 52.2 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 115.245 1.21 . . . . 50.0 115.245 -176.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -76.09 -41.71 49.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.68 -0.638 . . . . 25.0 110.333 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.96 67.61 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.812 -0.811 . . . . 50.0 108.812 -174.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -30.33 71.52 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.42 -0.8 . . . . 50.0 111.045 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -74.73 -41.39 60.23 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 122.812 0.445 . . . . 25.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.77 -33.84 76.52 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 108.126 -1.065 . . . . 50.0 108.126 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.94 -43.9 91.23 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.523 -0.762 . . . . 50.0 112.894 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.43 -28.37 67.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.891 -0.724 . . . . 50.0 111.639 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -77.04 -51.88 10.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.201 0.524 . . . . 50.0 112.021 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.69 -34.32 46.23 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.187 1.18 . . . . 50.0 114.187 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -139.88 70.46 36.16 Favored Pre-proline 0 N--CA 1.474 0.734 0 N-CA-C 114.448 1.277 . . . . 50.0 114.448 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.41 -37.03 89.29 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 N-CA-C 118.451 2.443 . . . . 50.0 118.451 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.24 -28.37 23.01 Favored 'Trans proline' 0 C--N 1.36 1.152 1 C-N-CA 112.588 -4.474 . . . . 50.0 116.081 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.42 -32.4 60.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.633 -1.292 . . . . 50.0 107.838 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 -49.45 70.36 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-O 118.849 -0.596 . . . . 25.0 112.456 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.2 -31.92 70.61 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.14 0.882 . . . . 50.0 110.936 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.49 -44.69 93.62 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.859 -0.609 . . . . 25.0 111.515 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.26 -42.57 93.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.424 -0.807 . . . . 50.0 110.381 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.33 -30.7 71.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.489 0.662 . . . . 50.0 110.716 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.8 m -75.46 -22.58 57.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.389 -0.823 . . . . 50.0 112.528 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.15 -17.27 38.52 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 116.71 -0.223 . . . . 25.0 113.542 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.03 116.94 6.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.861 0.362 . . . . 50.0 111.201 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.25 -36.73 82.22 Favored 'General case' 0 C--O 1.21 -0.981 0 C-N-CA 120.415 -0.514 . . . . 50.0 109.808 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.7 -53.09 62.32 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.882 -0.511 . . . . 50.0 111.137 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.0 ptmt -63.88 -37.74 88.5 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.624 -0.703 . . . . 50.0 109.296 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -64.8 -50.49 66.56 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 112.223 0.453 . . . . 50.0 112.223 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.8 t -62.08 -39.87 93.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.422 0.629 . . . . 50.0 111.509 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.4 -47.2 74.05 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.101 -0.5 . . . . 50.0 109.758 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.84 -30.6 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.644 -0.872 . . . . 50.0 108.644 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.25 -47.87 82.18 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.102 -0.374 . . . . 75.0 111.824 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.06 -35.29 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.134 -0.626 . . . . 50.0 110.673 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.679 0.752 . . . . 50.0 109.169 177.839 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo . . . . . 0 C--O 1.216 -0.578 0 CA-C-O 120.37 0.071 . . . . 50.0 112.187 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.95 99.31 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.265 -0.272 . . . . 25.0 111.578 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -77.67 -37.75 49.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.309 . . . . 50.0 110.271 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.3 tp -66.89 -41.12 87.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 75.0 110.161 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -54.48 -45.55 73.23 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.684 -0.488 . . . . 50.0 109.684 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.08 -42.66 84.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.024 0.44 . . . . 50.0 111.767 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.31 -49.01 79.29 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.512 0.672 . . . . 50.0 110.302 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.99 -42.1 97.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.137 -0.938 . . . . 50.0 112.065 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.76 -36.49 84.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.145 0.498 . . . . 50.0 110.394 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.38 -10.24 59.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.043 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -115.87 96.32 46.47 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.207 0.447 . . . . 50.0 112.207 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.35 -25.36 64.01 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 N-CA-C 115.218 1.199 . . . . 50.0 115.218 -176.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.06 -42.28 48.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.465 0.65 . . . . 25.0 110.673 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.75 -40.85 69.08 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.811 -0.811 . . . . 50.0 108.811 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -30.22 71.3 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.056 -0.402 . . . . 50.0 110.813 178.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 t -72.73 -44.03 62.19 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 122.53 0.332 . . . . 25.0 110.958 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.96 -30.11 70.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 122.035 0.922 . . . . 50.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -67.15 -43.02 83.36 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.897 -1.047 . . . . 50.0 112.219 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.09 -27.16 65.35 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 119.869 -0.733 . . . . 50.0 111.774 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -74.87 -51.85 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.993 0.425 . . . . 50.0 111.449 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -87.56 -26.46 23.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.487 1.662 . . . . 50.0 115.487 -174.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -139.16 67.32 39.84 Favored Pre-proline 0 N--CA 1.474 0.735 0 N-CA-C 113.24 0.83 . . . . 50.0 113.24 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.61 -35.85 87.7 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.366 2.41 . . . . 50.0 118.366 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -69.61 -30.0 23.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 112.105 -4.796 . . . . 50.0 115.842 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -75.46 -32.43 60.62 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.756 -1.215 . . . . 50.0 108.006 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.76 79.68 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.68 -31.45 70.7 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.277 0.944 . . . . 50.0 110.671 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.2 -44.16 97.73 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 115.54 -0.754 . . . . 25.0 111.091 174.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.41 -40.88 89.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.008 -0.542 . . . . 50.0 110.768 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.83 -28.82 70.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.233 0.54 . . . . 50.0 111.162 -175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.1 m -76.45 -22.89 54.01 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.809 -0.632 . . . . 50.0 111.953 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -21.62 23.08 Favored Glycine 0 C--O 1.236 0.241 0 CA-C-N 116.526 -0.307 . . . . 25.0 112.757 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -62.8 116.98 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 122.761 0.424 . . . . 50.0 112.0 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.46 -37.39 82.87 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.306 -0.627 . . . . 50.0 109.306 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -51.16 70.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.577 -0.449 . . . . 50.0 109.934 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.8 ptmt -65.23 -36.38 83.98 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.133 -0.627 . . . . 50.0 110.615 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -61.54 -50.75 71.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 118.535 0.607 . . . . 50.0 111.264 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -63.74 -43.86 95.22 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 122.555 0.342 . . . . 50.0 111.423 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.29 -44.09 95.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.087 -0.383 . . . . 50.0 110.664 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.44 -34.25 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.67 -41.44 86.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.993 -0.442 . . . . 50.0 109.887 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.0 t -68.96 -44.02 81.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 110.282 -0.266 . . . . 50.0 110.282 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.319 -0.736 0 O-C-N 121.679 -0.638 . . . . 50.0 110.876 178.332 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 C--O 1.213 -0.751 0 N-CA-C 111.689 -0.158 . . . . 50.0 111.689 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.378 -0.201 . . . . 25.0 111.293 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.03 -38.76 43.9 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.339 -0.391 . . . . 50.0 110.188 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.23 -39.35 89.51 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 120.831 -0.348 . . . . 50.0 110.705 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -56.52 -45.59 81.04 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.43 -44.12 79.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.466 . . . . 50.0 111.622 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -59.27 -49.4 77.99 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.243 0.544 . . . . 50.0 110.281 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.83 -43.58 90.68 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.567 -0.742 . . . . 75.0 112.117 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.27 -34.69 78.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.74 -0.384 . . . . 50.0 110.935 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.91 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.201 -0.454 . . . . 25.0 112.097 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -108.54 101.33 42.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.16 0.43 . . . . 50.0 112.16 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.45 -25.74 48.17 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 N-CA-C 115.667 1.372 . . . . 50.0 115.667 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -76.13 -44.55 37.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.547 0.689 . . . . 25.0 109.884 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.04 -39.13 75.93 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.866 -0.79 . . . . 50.0 108.866 -174.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.35 70.39 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.829 -0.544 . . . . 50.0 111.091 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.7 -42.45 58.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.764 0.426 . . . . 25.0 111.702 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.14 -31.25 70.69 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.91 0.862 . . . . 50.0 109.299 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.2 -44.98 82.35 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 115.092 -0.958 . . . . 50.0 111.865 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -69.99 -26.07 63.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 119.891 -0.724 . . . . 50.0 112.365 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.6 -51.84 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.513 . . . . 50.0 110.52 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -95.91 -26.23 15.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 116.338 1.977 . . . . 50.0 116.338 -170.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -134.95 68.28 70.65 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 112.883 0.697 . . . . 50.0 112.883 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.13 -35.9 91.77 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 N-CA-C 118.249 2.365 . . . . 50.0 118.249 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.1 -30.01 26.07 Favored 'Trans proline' 0 C--N 1.362 1.276 1 C-N-CA 112.237 -4.709 . . . . 50.0 115.821 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.51 -34.84 60.85 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 120.887 -1.133 . . . . 50.0 107.962 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.36 75.13 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.47 -31.49 71.46 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.054 0.843 . . . . 50.0 110.99 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.02 -40.56 96.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.32 175.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.19 -42.67 83.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 50.0 110.476 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.02 -28.75 70.01 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.084 0.469 . . . . 50.0 111.074 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -75.72 -18.23 59.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 50.0 112.449 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.44 -30.95 3.95 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 113.949 0.34 . . . . 25.0 113.949 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.5 110.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.918 0.866 . . . . 50.0 112.592 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.17 -37.29 86.93 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.78 -0.822 . . . . 50.0 108.78 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.92 -43.37 91.1 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.969 -0.692 . . . . 50.0 111.997 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 20.0 ptmt -73.43 -36.32 65.92 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.653 -0.654 . . . . 50.0 110.15 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.88 -51.46 69.63 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.463 -0.495 . . . . 50.0 109.989 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -62.49 -40.52 96.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.778 0.658 . . . . 50.0 112.778 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -46.81 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.94 -0.475 . . . . 50.0 110.034 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.3 t -70.79 -33.17 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tp -55.29 -43.73 75.07 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.057 -0.402 . . . . 50.0 110.199 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.1 t -68.76 -43.23 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 122.158 -0.338 . . . . 50.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 C--N 1.322 -0.618 0 CA-C-O 121.213 0.53 . . . . 50.0 110.598 179.432 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo . . . . . 0 C--O 1.215 -0.656 0 N-CA-C 112.77 0.258 . . . . 50.0 112.77 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.32 93.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 111.379 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.5 mt -76.88 -39.34 51.34 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 110.112 -0.329 . . . . 50.0 110.112 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.85 -39.85 87.72 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.672 -0.411 . . . . 50.0 110.518 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -56.79 -46.19 81.7 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 109.273 -0.64 . . . . 50.0 109.273 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.3 -46.78 82.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.47 -0.332 . . . . 50.0 111.821 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.79 -41.3 97.56 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.715 0.293 . . . . 50.0 111.612 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.62 -42.48 95.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.628 -0.26 . . . . 50.0 111.059 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -63.89 -36.64 84.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.126 0.488 . . . . 50.0 110.121 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.38 -11.95 59.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.772 -0.649 . . . . 25.0 112.63 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -116.4 101.86 53.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 112.724 0.638 . . . . 50.0 112.724 -174.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.9 -26.5 51.68 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 N-CA-C 115.669 1.373 . . . . 50.0 115.669 -176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -76.12 -42.03 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.712 0.768 . . . . 25.0 110.815 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.57 -37.35 71.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.383 -0.826 . . . . 50.0 109.358 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -28.88 67.25 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.759 -0.588 . . . . 50.0 110.327 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -74.0 -44.34 54.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.207 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.42 -31.5 72.63 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 122.163 0.982 . . . . 50.0 109.102 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.7 tp -66.72 -45.99 76.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.985 -1.007 . . . . 50.0 112.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.13 -26.18 63.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 120.227 -0.589 . . . . 50.0 112.203 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -73.69 -51.85 15.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.205 0.526 . . . . 50.0 110.744 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -98.25 -24.12 15.38 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.711 1.745 . . . . 50.0 115.711 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -134.76 65.91 67.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 N-CA-C 113.811 1.041 . . . . 50.0 113.811 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -54.66 -34.5 83.81 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 N-CA-C 118.821 2.585 . . . . 50.0 118.821 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.77 -34.08 25.51 Favored 'Trans proline' 0 C--N 1.362 1.268 1 C-N-CA 112.794 -4.338 . . . . 50.0 115.332 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -75.46 -32.76 60.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 108.188 -1.041 . . . . 50.0 108.188 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.24 -50.12 72.99 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.34 -32.21 69.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.108 0.867 . . . . 50.0 110.686 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.76 -44.47 96.11 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.94 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.64 -42.77 81.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.652 -0.703 . . . . 50.0 110.782 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.98 -30.49 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.315 0.579 . . . . 50.0 110.938 -173.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.95 -22.95 60.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.617 -0.719 . . . . 50.0 112.329 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.56 -22.06 18.81 Favored Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.509 -0.314 . . . . 25.0 112.702 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.46 117.25 5.03 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.927 0.491 . . . . 50.0 112.006 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.36 -37.99 84.08 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.405 -0.518 . . . . 50.0 109.921 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.72 -52.57 64.93 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.673 -0.411 . . . . 50.0 110.374 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.4 ptmt -64.95 -34.98 79.72 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 120.499 -0.48 . . . . 50.0 110.16 178.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.86 -51.43 64.65 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 118.258 0.481 . . . . 50.0 111.311 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -64.99 -38.55 91.34 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 122.688 0.395 . . . . 50.0 111.886 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -62.84 -46.38 88.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.887 0.375 . . . . 50.0 110.356 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.68 -34.31 51.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.592 -0.892 . . . . 50.0 108.592 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.37 -45.09 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.034 -0.416 . . . . 50.0 111.235 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 p -72.17 -37.48 59.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 C-N-CA 120.072 -0.651 . . . . 50.0 110.841 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 N--CA 1.471 0.616 0 O-C-N 121.5 -0.75 . . . . 50.0 111.015 176.718 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo . . . . . 0 C--O 1.218 -0.479 0 CA-C-O 120.805 0.252 . . . . 50.0 112.044 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.45 98.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.94 -40.22 40.25 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.234 0.334 . . . . 50.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.03 -42.52 94.26 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.925 -0.31 . . . . 50.0 111.095 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HD3' HD21 ' A' ' 54' ' ' LEU . 20.0 ttp85 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.148 -0.686 . . . . 50.0 109.148 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.01 -44.74 83.87 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.218 -0.447 . . . . 50.0 111.463 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.09 -41.13 97.88 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.49 -0.323 . . . . 50.0 110.697 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.99 -44.26 93.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.475 -0.329 . . . . 50.0 111.826 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.3 -34.81 78.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.106 0.479 . . . . 50.0 109.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.28 -12.18 59.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.608 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.32 99.64 52.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.36 0.504 . . . . 50.0 112.36 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.11 -25.61 58.29 Favored 'Trans proline' 0 C--N 1.345 0.374 0 N-CA-C 115.368 1.257 . . . . 50.0 115.368 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -75.98 -42.4 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.724 -0.61 . . . . 25.0 110.925 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.65 -38.0 65.12 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.661 -0.866 . . . . 50.0 108.661 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -30.28 71.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.932 -0.48 . . . . 50.0 110.735 177.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.8 -42.84 57.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 25.0 110.84 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -33.19 75.28 Favored 'General case' 0 CA--C 1.483 -1.612 0 CA-C-O 121.667 0.746 . . . . 50.0 109.026 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.75 -44.76 84.97 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.312 -0.858 . . . . 50.0 112.734 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -68.37 -28.8 67.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 119.647 -0.821 . . . . 50.0 111.78 175.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -74.22 -51.84 14.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.539 0.685 . . . . 50.0 111.397 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -86.84 -28.93 22.6 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.755 1.391 . . . . 50.0 114.755 -174.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -137.4 68.2 53.87 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 114.14 1.163 . . . . 50.0 114.14 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.46 -36.42 88.0 Favored 'Trans proline' 0 CA--C 1.553 1.453 0 N-CA-C 118.153 2.328 . . . . 50.0 118.153 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.24 -28.98 27.1 Favored 'Trans proline' 0 C--N 1.361 1.194 1 C-N-CA 112.765 -4.357 . . . . 50.0 116.222 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -75.46 -33.96 60.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.564 -1.335 . . . . 50.0 108.206 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.18 76.39 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 113.102 0.778 . . . . 25.0 113.102 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.12 -31.59 69.07 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.962 0.801 . . . . 50.0 111.094 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.68 91.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.008 0.432 . . . . 25.0 110.965 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.54 -40.84 89.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 50.0 109.919 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.78 -31.43 72.66 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.228 0.537 . . . . 50.0 110.668 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -74.26 -21.94 59.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.594 -0.73 . . . . 50.0 111.832 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.37 4.74 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 121.664 -0.303 . . . . 25.0 113.259 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 108.39 0.47 Allowed 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.894 1.33 . . . . 50.0 112.65 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.409 HD21 ' HD3' ' A' ' 25' ' ' ARG . 1.3 tm? -67.41 -32.3 73.1 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 114.76 -1.109 . . . . 50.0 108.627 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.0 -47.36 77.91 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.358 -0.537 . . . . 50.0 112.13 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -74.44 -34.33 63.16 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 109.38 -0.6 . . . . 50.0 109.38 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -61.93 -51.47 68.01 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 120.873 -0.331 . . . . 50.0 110.75 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -62.0 -39.21 91.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.896 0.379 . . . . 50.0 111.976 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -66.48 -49.7 65.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 50.0 110.053 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -70.08 -30.25 43.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.928 -1.138 . . . . 50.0 107.928 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.25 -46.21 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.07 -0.394 . . . . 50.0 110.951 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.87 -36.23 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.289 -0.564 . . . . 50.0 111.246 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.471 0.581 0 O-C-N 121.596 -0.69 . . . . 50.0 110.233 176.768 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.215 -0.658 0 N-CA-C 113.064 0.371 . . . . 50.0 113.064 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.99 97.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.229 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.49 -40.38 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 50.0 110.492 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 tp -64.53 -39.51 93.9 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.51 -0.476 . . . . 50.0 110.546 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -58.86 -43.94 90.92 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.436 -0.579 . . . . 50.0 109.436 176.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.87 -45.82 80.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.832 0.349 . . . . 50.0 111.367 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.6 ttp -59.77 -45.61 91.75 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.923 0.392 . . . . 50.0 110.866 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -62.61 -44.43 96.32 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.867 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -65.11 -33.87 77.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.923 0.392 . . . . 50.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.5 -12.11 59.88 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -114.86 99.94 52.76 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-O 120.868 0.366 . . . . 50.0 111.837 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.53 -25.67 55.07 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 115.414 1.275 . . . . 50.0 115.414 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -76.13 -43.15 44.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.386 0.613 . . . . 25.0 110.797 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.25 -38.27 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -30.27 70.46 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.955 -0.466 . . . . 50.0 110.66 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.65 -43.04 57.31 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.549 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.84 -31.58 72.29 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-O 121.868 0.842 . . . . 50.0 109.243 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.35 -46.44 76.76 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.918 -1.037 . . . . 50.0 111.775 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.56 -26.2 64.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 120.074 -0.651 . . . . 50.0 112.201 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.68 -51.88 17.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 50.0 110.69 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -101.65 -20.81 14.86 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 117.4 2.37 . . . . 50.0 117.4 -170.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -133.16 64.95 72.14 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 112.426 0.528 . . . . 50.0 112.426 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -55.33 -33.53 85.54 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 N-CA-C 118.335 2.398 . . . . 50.0 118.335 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.85 -32.32 29.64 Favored 'Trans proline' 0 C--N 1.364 1.354 1 C-N-CA 112.344 -4.637 . . . . 50.0 115.236 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -75.52 -36.05 60.61 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 121.008 -1.057 . . . . 50.0 108.337 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -49.41 76.69 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.13 -31.47 70.09 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.889 0.768 . . . . 50.0 110.999 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -65.4 -38.39 89.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.805 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.0 -42.96 75.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.265 -0.425 . . . . 50.0 110.219 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.38 -31.18 72.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.255 0.55 . . . . 50.0 111.182 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -23.18 63.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.416 -0.811 . . . . 50.0 111.871 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.95 -28.14 4.66 Favored Glycine 0 N--CA 1.46 0.275 0 CA-C-O 121.405 0.447 . . . . 25.0 111.987 -177.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -57.67 101.79 0.08 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.776 1.23 . . . . 50.0 111.908 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.13 -35.41 80.18 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.492 -0.755 . . . . 75.0 110.602 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.02 70.16 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.43 -0.508 . . . . 50.0 111.15 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.4 ptmt -83.29 -36.69 24.29 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.73 -0.388 . . . . 50.0 110.189 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -58.3 -48.4 80.63 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.645 -0.422 . . . . 50.0 110.418 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.6 t -65.32 -40.65 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.233 0.457 . . . . 50.0 112.233 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -60.49 -45.7 92.8 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.909 0.385 . . . . 50.0 110.448 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -73.91 -33.23 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.12 -46.61 82.49 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.978 -0.451 . . . . 50.0 111.265 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.97 -36.19 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 120.365 -0.534 . . . . 50.0 110.905 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.553 0.692 . . . . 50.0 109.913 176.561 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo . . . . . 0 C--O 1.216 -0.618 0 N-CA-C 112.555 0.175 . . . . 50.0 112.555 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.23 91.24 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.379 -0.201 . . . . 25.0 111.231 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.99 -39.23 43.0 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 123.619 0.574 . . . . 50.0 110.725 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.15 -40.06 90.29 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.569 -0.452 . . . . 50.0 110.573 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -43.64 84.29 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.841 -0.8 . . . . 50.0 108.841 176.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.49 -46.99 77.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.826 -0.624 . . . . 50.0 111.445 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.26 -44.73 95.04 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 121.002 0.429 . . . . 50.0 111.019 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.3 -43.04 99.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.021 -0.536 . . . . 50.0 111.989 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -65.01 -35.14 80.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.729 -0.389 . . . . 50.0 110.432 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 -9.4 59.84 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.459 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -116.93 100.39 53.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.74 -0.6 . . . . 50.0 111.7 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.95 -25.27 59.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 N-CA-C 114.986 1.11 . . . . 50.0 114.986 -176.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -76.01 -45.62 33.61 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.877 -0.514 . . . . 25.0 109.742 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -38.64 81.06 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.649 -0.871 . . . . 50.0 108.649 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -30.46 70.33 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 121.517 -0.739 . . . . 50.0 111.643 178.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -35.08 56.8 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.671 0.389 . . . . 25.0 111.561 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -73.63 -33.8 64.7 Favored 'General case' 0 CA--C 1.48 -1.716 0 N-CA-C 107.429 -1.323 . . . . 50.0 107.429 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -63.53 -42.73 98.4 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.752 -0.658 . . . . 50.0 112.75 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -66.33 -25.99 67.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 119.915 -0.714 . . . . 50.0 112.312 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -80.74 -51.86 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.018 0.437 . . . . 50.0 111.084 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -76.29 -35.46 58.85 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.375 1.25 . . . . 50.0 114.375 -177.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -140.18 70.67 34.21 Favored Pre-proline 0 C--O 1.242 0.703 0 N-CA-C 112.861 0.689 . . . . 50.0 112.861 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.3 -37.69 88.52 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 117.992 2.266 . . . . 50.0 117.992 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.2 -28.92 27.38 Favored 'Trans proline' 0 C--N 1.36 1.158 1 C-N-CA 112.536 -4.509 . . . . 50.0 116.286 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -71.55 -36.98 71.15 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.465 -1.397 . . . . 50.0 107.853 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.11 78.42 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 115.258 -0.883 . . . . 25.0 112.702 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.32 -31.45 71.3 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.344 0.974 . . . . 50.0 111.092 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.95 -39.67 93.85 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.402 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.84 -42.57 85.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.361 . . . . 50.0 110.546 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.08 -27.31 69.31 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.122 0.487 . . . . 50.0 111.138 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 m -74.85 -21.79 59.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.796 -0.638 . . . . 50.0 112.263 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.51 -27.48 6.35 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.554 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -58.42 102.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.372 1.069 . . . . 50.0 111.808 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.97 -35.19 77.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.218 -1.03 . . . . 50.0 108.218 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.911 -0.716 . . . . 50.0 112.132 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.32 -33.91 65.4 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.729 0.695 . . . . 50.0 110.477 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.73 -51.01 71.6 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.527 -0.469 . . . . 50.0 109.918 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -63.91 -39.91 95.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.493 0.553 . . . . 50.0 112.493 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -61.27 -43.95 98.03 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 121.323 0.582 . . . . 50.0 110.408 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.03 -35.85 42.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.848 -0.427 . . . . 50.0 109.848 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.85 -45.31 92.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.724 -0.216 . . . . 50.0 110.733 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.9 -34.52 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 121.954 -0.466 . . . . 50.0 110.838 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 . . . . . 0 C--N 1.322 -0.598 0 O-C-N 121.829 -0.544 . . . . 50.0 110.162 175.153 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo . . . . . 0 C--O 1.218 -0.524 0 N-CA-C 113.474 0.528 . . . . 50.0 113.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.3 93.09 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.876 -0.329 . . . . 25.0 110.364 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.91 -37.07 56.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 50.0 110.788 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.48 -41.36 93.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.603 -0.439 . . . . 50.0 110.203 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -57.53 -45.07 85.47 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.454 -0.573 . . . . 50.0 109.454 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -43.24 88.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.94 0.4 . . . . 50.0 111.483 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -59.95 -49.29 78.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.259 0.552 . . . . 50.0 109.731 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.9 -44.01 94.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.476 -0.784 . . . . 50.0 111.992 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.66 -36.19 83.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 50.0 110.589 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.39 58.94 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.26 98.48 39.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.402 . . . . 50.0 111.864 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.5 -25.2 63.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 114.992 1.112 . . . . 50.0 114.992 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.07 -44.11 40.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.853 -0.529 . . . . 25.0 111.133 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.56 -39.71 70.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.61 -0.885 . . . . 50.0 108.61 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.52 71.64 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.747 -0.595 . . . . 50.0 111.111 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.4 p -76.46 -35.98 58.14 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.722 0.296 . . . . 25.0 111.576 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.56 -33.19 66.62 Favored 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 108.362 -0.977 . . . . 50.0 108.362 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.06 -44.5 95.64 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.271 -0.877 . . . . 50.0 111.978 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -69.51 -26.05 64.34 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 119.742 -0.783 . . . . 50.0 112.652 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -76.16 -50.79 13.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.403 0.621 . . . . 50.0 110.784 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -82.61 -36.12 26.41 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.925 1.454 . . . . 50.0 114.925 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -135.1 69.1 70.23 Favored Pre-proline 0 N--CA 1.472 0.656 0 N-CA-C 113.427 0.899 . . . . 50.0 113.427 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.05 -35.9 91.43 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.402 2.424 . . . . 50.0 118.402 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -69.69 -29.77 23.69 Favored 'Trans proline' 0 C--N 1.362 1.27 1 C-N-CA 112.336 -4.643 . . . . 50.0 115.941 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.5 tp -75.37 -33.54 61.06 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.842 -1.162 . . . . 50.0 108.046 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.13 77.42 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.857 -0.61 . . . . 25.0 112.457 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.89 -31.48 69.84 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.292 0.951 . . . . 50.0 110.999 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -60.79 -43.08 98.56 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.967 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.22 -43.99 76.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 50.0 111.08 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.14 -28.89 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.592 0.711 . . . . 50.0 110.524 -174.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -74.03 -23.31 59.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.031 -0.986 . . . . 50.0 112.359 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.83 -18.37 39.85 Favored Glycine 0 CA--C 1.517 0.204 0 CA-C-O 121.258 0.365 . . . . 25.0 112.983 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -68.13 113.28 5.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 50.0 111.741 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.22 -36.23 83.5 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 109.273 -0.639 . . . . 50.0 109.273 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.79 -48.49 81.55 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.955 -0.465 . . . . 50.0 110.696 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 ptmt -67.63 -36.23 80.41 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.07 -0.652 . . . . 50.0 109.84 177.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.12 -50.31 72.41 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 118.304 0.502 . . . . 50.0 111.332 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -64.36 -40.76 96.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.437 0.532 . . . . 50.0 112.437 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -63.84 -45.89 87.48 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.089 -0.382 . . . . 50.0 110.182 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.78 -32.78 56.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 tp -56.23 -42.87 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.033 -0.417 . . . . 50.0 111.054 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.93 -44.71 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 122.176 -0.327 . . . . 50.0 110.4 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 121.693 0.759 . . . . 50.0 110.354 179.175 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo . . . . . 0 C--O 1.214 -0.714 0 N-CA-C 112.917 0.314 . . . . 50.0 112.917 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.1 85.57 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 25.0 110.733 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.27 -38.22 71.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.904 -0.406 . . . . 50.0 109.904 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.3 tp -67.08 -39.69 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.541 -0.299 . . . . 50.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -59.85 -45.55 92.07 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.543 -1.28 . . . . 50.0 107.543 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -44.31 91.98 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.231 -0.895 . . . . 50.0 112.08 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.8 -44.96 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.858 0.361 . . . . 50.0 110.626 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.413 -0.358 . . . . 50.0 111.733 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.06 -36.97 83.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 50.0 110.119 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.22 -16.18 56.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.707 -0.678 . . . . 25.0 112.519 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -106.14 102.54 40.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 50.0 112.299 -174.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.24 -27.44 48.43 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 N-CA-C 115.621 1.354 . . . . 50.0 115.621 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -75.93 -42.88 47.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.818 0.818 . . . . 25.0 111.014 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.59 -37.45 68.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.376 -0.829 . . . . 50.0 109.3 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.649 -0.657 . . . . 50.0 110.809 176.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.75 -40.11 61.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 25.0 111.63 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.15 -33.81 76.22 Favored 'General case' 0 CA--C 1.479 -1.765 0 CA-C-O 122.01 0.909 . . . . 50.0 108.845 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.87 -47.4 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.828 -1.078 . . . . 50.0 111.495 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.85 -26.19 64.09 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.843 0.682 . . . . 50.0 112.843 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -71.14 -51.69 23.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 50.0 110.277 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -101.01 -24.07 14.39 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 117.097 2.258 . . . . 50.0 117.097 -169.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -132.55 68.72 79.59 Favored Pre-proline 0 N--CA 1.477 0.884 0 N-CA-C 112.813 0.671 . . . . 50.0 112.813 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.54 -36.89 90.07 Favored 'Trans proline' 0 CA--C 1.551 1.331 0 N-CA-C 118.361 2.408 . . . . 50.0 118.361 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -69.56 -30.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 112.407 -4.595 . . . . 50.0 115.733 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -75.41 -31.21 60.33 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.801 -1.187 . . . . 50.0 108.354 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.42 69.61 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.614 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.39 69.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.678 0.672 . . . . 50.0 110.854 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.472 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -60.05 -46.37 89.77 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 115.816 -0.629 . . . . 25.0 112.636 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -65.94 -40.03 91.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.526 -0.761 . . . . 50.0 110.063 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.93 -33.68 76.25 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.268 0.556 . . . . 50.0 110.383 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -24.92 61.28 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.51 -0.768 . . . . 50.0 111.266 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.18 -15.1 46.46 Favored Glycine 0 C--O 1.235 0.187 0 CA-C-N 116.331 -0.395 . . . . 25.0 112.135 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -65.22 114.03 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 50.0 110.827 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.73 -36.56 83.93 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -59.66 -52.06 67.11 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.908 -0.495 . . . . 50.0 110.808 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.8 -39.7 94.01 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 117.791 -1.1 . . . . 50.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.4 -50.67 73.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 119.124 0.874 . . . . 50.0 112.719 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.1 t -64.61 -38.42 90.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 118.624 0.647 . . . . 50.0 112.165 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -67.43 -45.09 77.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.57 -0.529 . . . . 50.0 109.57 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.51 -34.16 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.331 -0.989 . . . . 50.0 108.331 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 tp -56.87 -46.86 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.899 -0.5 . . . . 50.0 111.223 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.64 -35.06 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.328 -0.549 . . . . 50.0 110.972 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 121.323 0.582 . . . . 50.0 109.779 174.516 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo . . . . . 0 C--O 1.22 -0.411 0 N-CA-C 112.801 0.269 . . . . 50.0 112.801 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.7 97.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.302 -0.249 . . . . 25.0 111.575 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.93 -36.8 48.95 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.24 0.338 . . . . 50.0 110.456 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.06 -41.43 90.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.571 -0.451 . . . . 50.0 110.07 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -56.53 -43.42 79.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.341 -0.615 . . . . 50.0 109.341 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.24 -44.26 84.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.975 0.417 . . . . 50.0 111.597 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.32 -48.71 80.58 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.305 0.574 . . . . 50.0 110.618 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.565 -0.743 . . . . 50.0 112.471 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.69 -35.75 81.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.058 0.456 . . . . 50.0 110.267 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.56 -11.39 59.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.67 0.618 . . . . 25.0 112.67 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -115.92 100.33 53.43 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 113.15 0.796 . . . . 50.0 113.15 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.79 -25.62 53.22 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 N-CA-C 115.471 1.296 . . . . 50.0 115.471 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -76.19 -44.49 37.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.953 0.882 . . . . 25.0 110.685 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -35.19 69.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.318 -0.856 . . . . 50.0 110.258 -174.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -28.68 67.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.012 0.434 . . . . 50.0 110.11 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.9 t -74.7 -42.11 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 25.0 111.275 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.17 -31.17 71.4 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-O 121.942 0.877 . . . . 50.0 109.128 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.0 tp -66.39 -43.71 85.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 115.192 -0.913 . . . . 50.0 111.928 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -69.63 -26.24 64.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 119.961 -0.696 . . . . 50.0 111.999 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.16 -54.12 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.5 0.667 . . . . 50.0 110.878 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -89.56 -26.37 20.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.88 1.437 . . . . 50.0 114.88 -168.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.08 68.08 48.59 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 113.188 0.81 . . . . 50.0 113.188 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -55.19 -35.92 92.07 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 N-CA-C 117.982 2.262 . . . . 50.0 117.982 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.83 -29.11 29.11 Favored 'Trans proline' 0 C--N 1.363 1.309 1 C-N-CA 112.507 -4.529 . . . . 50.0 115.866 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 tp -75.34 -33.39 61.1 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.729 -1.232 . . . . 50.0 108.582 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.54 75.41 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.818 -0.628 . . . . 25.0 112.473 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.18 -31.51 69.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.728 0.695 . . . . 50.0 111.206 -177.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.16 -43.45 98.8 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-O 120.958 0.409 . . . . 25.0 111.837 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.9 -40.44 91.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.741 -0.663 . . . . 50.0 109.812 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.19 -30.83 71.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.154 0.502 . . . . 50.0 110.929 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -74.15 -24.74 59.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.669 . . . . 50.0 111.559 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.35 -13.64 57.13 Favored Glycine 0 C--O 1.235 0.167 0 CA-C-N 116.504 -0.316 . . . . 25.0 112.499 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -70.72 111.54 6.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.917 0.389 . . . . 50.0 110.984 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.01 -36.63 84.2 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.332 -0.618 . . . . 50.0 109.332 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.96 -51.6 68.99 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.855 -0.528 . . . . 50.0 110.791 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.4 ptmt -65.04 -35.98 82.89 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.245 -0.582 . . . . 50.0 109.605 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.3 -51.35 68.04 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 118.429 0.559 . . . . 50.0 112.334 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -63.11 -39.98 96.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.39 0.614 . . . . 50.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -66.05 -51.56 57.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.185 -0.461 . . . . 50.0 110.244 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.26 -29.54 46.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.076 -1.083 . . . . 50.0 108.076 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.16 -47.59 85.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.301 -0.249 . . . . 50.0 111.023 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.7 -33.94 45.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.163 -0.615 . . . . 50.0 110.766 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 176.16 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo . . . . . 0 C--O 1.215 -0.642 0 N-CA-C 113.035 0.36 . . . . 50.0 113.035 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.9 99.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.189 -0.319 . . . . 25.0 111.569 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -76.46 -39.13 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 50.0 110.229 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.53 -40.02 88.92 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.616 -0.434 . . . . 50.0 110.602 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -56.81 -45.36 82.32 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.313 -0.625 . . . . 50.0 109.313 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.28 -44.33 83.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.894 0.378 . . . . 50.0 111.68 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -60.1 -49.85 76.03 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.43 0.633 . . . . 50.0 110.05 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.248 -0.887 . . . . 50.0 112.319 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.99 -35.75 81.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.99 0.424 . . . . 50.0 110.617 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.82 -13.04 60.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.795 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -110.56 98.26 36.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.68 0.622 . . . . 50.0 112.68 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.51 -28.36 53.65 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 N-CA-C 115.59 1.342 . . . . 50.0 115.59 -175.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -76.11 -42.39 47.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.553 -0.717 . . . . 25.0 110.946 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.04 -37.26 69.74 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.143 -0.688 . . . . 50.0 109.143 -175.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -30.33 70.86 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.614 -0.679 . . . . 50.0 110.603 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -76.84 -41.52 43.8 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.6 -31.01 70.76 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 122.439 1.114 . . . . 50.0 108.888 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.241 -0.891 . . . . 50.0 112.981 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.22 -29.79 68.7 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 120.086 -0.646 . . . . 50.0 111.739 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -53.36 12.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.578 0.704 . . . . 50.0 110.889 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -81.85 -36.01 28.72 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.435 1.272 . . . . 50.0 114.435 -175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -134.88 68.78 71.31 Favored Pre-proline 0 C--O 1.242 0.671 0 N-CA-C 114.107 1.151 . . . . 50.0 114.107 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -53.87 -35.64 80.4 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.757 2.56 . . . . 50.0 118.757 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.83 -31.53 24.86 Favored 'Trans proline' 0 C--N 1.36 1.178 1 C-N-CA 112.785 -4.343 . . . . 50.0 115.663 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -75.57 -33.62 60.63 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.937 -1.102 . . . . 50.0 108.381 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -48.03 75.08 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.6 -31.42 69.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.038 0.835 . . . . 50.0 110.463 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.9 -44.71 96.24 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.525 175.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.07 -41.43 90.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.675 -0.693 . . . . 50.0 110.492 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.27 -29.29 70.65 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.272 0.558 . . . . 50.0 110.786 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -76.49 -23.2 53.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.709 -0.678 . . . . 50.0 111.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.16 -21.3 21.28 Favored Glycine 0 C--O 1.236 0.245 0 CA-C-N 116.597 -0.274 . . . . 25.0 112.781 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.19 117.62 5.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.183 0.516 . . . . 50.0 111.857 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.43 -37.63 83.31 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 109.565 -0.532 . . . . 50.0 109.565 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.39 -51.1 70.92 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.628 -0.429 . . . . 50.0 110.498 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.7 ptmt -65.17 -37.66 88.07 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.456 -0.783 . . . . 50.0 109.708 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -62.13 -51.27 68.55 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 118.731 0.696 . . . . 50.0 112.301 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 t -60.73 -39.53 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 50.0 111.531 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -49.77 69.21 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.93 -29.53 37.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.061 -0.718 . . . . 50.0 109.061 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.65 -45.5 91.82 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.85 -0.531 . . . . 50.0 110.903 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -76.05 -34.5 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.56 -0.456 . . . . 50.0 110.543 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.471 0.618 0 O-C-N 121.673 -0.642 . . . . 50.0 110.475 176.687 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo . . . . . 0 C--O 1.214 -0.716 0 N-CA-C 111.505 -0.229 . . . . 50.0 111.505 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.0 99.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.0 -34.44 50.78 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.059 -0.349 . . . . 50.0 110.059 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.5 tp -68.53 -41.72 79.5 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.563 -0.455 . . . . 50.0 110.335 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -44.46 79.65 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.321 -0.622 . . . . 50.0 109.321 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.63 -45.91 88.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.962 0.41 . . . . 50.0 111.772 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -60.44 -49.57 77.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.267 0.556 . . . . 50.0 110.682 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.78 -43.32 98.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.511 -0.768 . . . . 50.0 111.985 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.9 -35.62 81.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.954 0.406 . . . . 50.0 110.693 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.81 59.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 25.0 112.31 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.93 100.16 53.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 50.0 112.564 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.18 -25.59 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.44 1.285 . . . . 50.0 115.44 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.56 -42.2 43.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.441 0.639 . . . . 25.0 110.97 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.26 -38.31 66.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.453 0.644 . . . . 50.0 109.424 -175.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -29.42 70.37 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.762 -0.586 . . . . 50.0 110.097 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 t -74.68 -41.43 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.822 0.449 . . . . 25.0 111.623 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.94 -31.17 70.73 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-O 122.016 0.912 . . . . 50.0 108.936 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.33 -44.52 83.12 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 115.063 -0.971 . . . . 50.0 111.936 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -70.45 -26.17 63.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 120.133 -0.627 . . . . 50.0 112.35 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.31 -51.98 26.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.167 0.508 . . . . 50.0 110.409 175.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -93.75 -29.66 15.27 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.269 1.951 . . . . 50.0 116.269 -171.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -135.45 69.79 67.55 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 113.674 0.99 . . . . 50.0 113.674 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.27 -37.1 88.25 Favored 'Trans proline' 0 CA--C 1.55 1.319 0 N-CA-C 118.576 2.491 . . . . 50.0 118.576 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.65 -30.34 28.28 Favored 'Trans proline' 0 C--N 1.361 1.233 1 C-N-CA 112.855 -4.297 . . . . 50.0 115.857 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.61 -33.42 60.53 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.862 -1.149 . . . . 50.0 108.495 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -49.33 71.34 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.64 -0.709 . . . . 25.0 112.172 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.4 -31.44 70.38 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.587 0.631 . . . . 50.0 111.266 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.25 -44.21 97.62 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-O 120.821 0.343 . . . . 25.0 111.229 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 tp -66.21 -40.78 90.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.059 -0.518 . . . . 50.0 110.647 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.54 -30.48 71.5 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.166 0.508 . . . . 50.0 110.785 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.404 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 49.7 m -74.76 -26.46 59.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.672 -0.694 . . . . 50.0 111.375 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.2 -21.89 39.76 Favored Glycine 0 C--O 1.229 -0.164 0 N-CA-C 113.891 0.316 . . . . 25.0 113.891 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -66.1 121.29 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.345 0.593 . . . . 50.0 111.02 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -66.08 -40.22 90.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.448 -0.501 . . . . 75.0 110.225 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.96 -30.23 70.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.321 0.581 . . . . 50.0 110.282 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 16.7 ptmt -78.48 -35.78 46.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.817 -0.753 . . . . 50.0 109.018 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.95 -46.66 83.7 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 123.094 0.246 . . . . 50.0 110.473 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -65.18 -37.87 88.73 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 122.886 0.474 . . . . 50.0 111.64 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.6 -50.44 67.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.727 -0.472 . . . . 50.0 109.727 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.87 -29.7 41.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.803 -0.814 . . . . 50.0 108.803 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.18 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.856 -0.528 . . . . 50.0 111.16 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.01 -34.8 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.475 -0.49 . . . . 50.0 110.297 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 . . . . . 0 C--N 1.323 -0.575 0 O-C-N 121.785 -0.572 . . . . 50.0 110.884 176.584 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo . . . . . 0 C--O 1.212 -0.811 0 N-CA-C 112.232 0.051 . . . . 50.0 112.232 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.7 93.02 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.297 -0.252 . . . . 25.0 110.654 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.9 mt -73.19 -38.42 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 50.0 110.293 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.32 -39.9 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.974 -0.291 . . . . 50.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -59.18 -44.69 92.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.159 -1.052 . . . . 50.0 108.159 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -44.82 91.38 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.751 -0.659 . . . . 50.0 112.067 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.9 ttp -61.93 -44.23 97.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.845 0.355 . . . . 50.0 110.796 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.0 -42.22 94.69 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.587 -0.279 . . . . 50.0 111.712 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.2 -37.56 85.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.28 0.562 . . . . 50.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.56 -16.0 57.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.554 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -110.12 103.6 54.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 112.946 0.721 . . . . 50.0 112.946 -173.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.46 -26.71 47.3 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.684 1.379 . . . . 50.0 115.684 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -76.01 -42.46 47.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.961 0.886 . . . . 25.0 110.438 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -36.07 65.32 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.276 -0.875 . . . . 50.0 110.004 -174.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -30.3 70.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.132 0.492 . . . . 75.0 109.778 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -74.51 -41.79 60.04 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 116.13 -0.486 . . . . 25.0 110.444 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.91 -33.73 76.71 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 121.369 -0.832 . . . . 50.0 108.915 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.28 -44.02 89.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.211 -0.904 . . . . 50.0 112.427 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -68.77 -29.19 67.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 120.3 -0.56 . . . . 50.0 111.93 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -74.79 -49.54 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.186 0.517 . . . . 50.0 111.278 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -89.98 -27.98 19.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 116.26 1.948 . . . . 50.0 116.26 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.06 70.29 48.99 Favored Pre-proline 0 N--CA 1.477 0.914 0 N-CA-C 113.719 1.007 . . . . 50.0 113.719 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.59 -37.8 83.47 Favored 'Trans proline' 0 CA--C 1.553 1.458 0 N-CA-C 119.079 2.684 . . . . 50.0 119.079 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.19 -32.71 20.36 Favored 'Trans proline' 0 C--N 1.359 1.122 1 C-N-CA 112.728 -4.381 . . . . 50.0 115.454 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.1 tp -75.29 -30.31 60.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.981 -1.118 . . . . 50.0 107.981 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.48 70.65 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 118.601 -0.714 . . . . 25.0 112.645 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -31.74 72.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.201 0.909 . . . . 50.0 110.601 -175.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.524 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.38 -45.65 87.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.109 -0.951 . . . . 25.0 111.603 172.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.504 -0.771 . . . . 75.0 110.658 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.22 -32.36 73.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.236 0.541 . . . . 50.0 110.708 -173.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -70.18 -24.58 63.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.473 -0.785 . . . . 50.0 112.193 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.61 -15.48 46.32 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.397 -0.365 . . . . 25.0 112.695 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 44.7 t0 -65.62 116.09 6.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 50.0 110.558 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.4 -36.54 81.49 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.528 -0.545 . . . . 50.0 109.528 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.36 -53.08 62.27 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.964 -0.46 . . . . 50.0 110.83 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.8 ptmt -64.47 -36.99 85.99 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 109.704 -0.48 . . . . 50.0 109.704 177.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -61.35 -51.8 67.29 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.714 -0.616 . . . . 50.0 111.224 178.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -65.08 -38.51 90.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.677 0.621 . . . . 50.0 112.677 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HE ' ' CD ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -61.06 -46.69 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.461 -0.57 . . . . 50.0 109.461 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.77 -34.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.121 -0.631 . . . . 50.0 109.38 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.79 -44.8 86.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.854 -0.529 . . . . 50.0 111.045 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 p -74.73 -36.42 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.482 -0.487 . . . . 50.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.406 ' CD ' ' HE ' ' A' ' 59' ' ' ARG . 58.6 mt-10 . . . . . 0 N--CA 1.472 0.648 0 O-C-N 121.517 -0.739 . . . . 50.0 111.251 176.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo . . . . . 0 C--O 1.217 -0.557 0 N-CA-C 113.114 0.39 . . . . 50.0 113.114 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.87 91.68 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.151 -0.343 . . . . 25.0 110.832 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.8 -37.66 64.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.416 -0.356 . . . . 50.0 110.094 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.72 -41.33 88.09 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.83 -0.348 . . . . 50.0 110.435 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.57 -46.22 87.38 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.564 -0.902 . . . . 50.0 108.564 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -44.34 93.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.935 -0.575 . . . . 50.0 111.94 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.2 ttp -62.98 -43.72 98.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 120.69 0.281 . . . . 50.0 110.832 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.96 -40.25 96.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.921 0.341 . . . . 50.0 111.921 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.29 -35.62 79.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.18 0.514 . . . . 50.0 109.868 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.03 -9.85 58.32 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -113.43 101.73 53.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.75 0.648 . . . . 50.0 112.75 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.44 -24.94 48.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 N-CA-C 115.412 1.274 . . . . 50.0 115.412 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -76.11 -42.41 47.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.925 0.869 . . . . 25.0 110.97 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.05 -37.35 61.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.205 -0.907 . . . . 50.0 108.927 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -30.37 70.16 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.755 -0.591 . . . . 50.0 110.171 177.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -70.67 -45.53 64.91 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.251 0.62 . . . . 25.0 110.711 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.15 -33.77 76.53 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 121.518 -0.739 . . . . 50.0 109.515 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -65.16 -43.89 90.3 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.366 -0.834 . . . . 50.0 113.05 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.35 -26.22 64.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 120.154 -0.618 . . . . 50.0 111.885 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.19 -51.81 9.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.177 0.513 . . . . 50.0 112.296 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -84.46 -31.02 24.79 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.36 0.874 . . . . 50.0 113.36 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -136.1 68.99 63.62 Favored Pre-proline 0 C--O 1.242 0.682 0 N-CA-C 114.473 1.286 . . . . 50.0 114.473 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.68 -36.14 89.1 Favored 'Trans proline' 0 CA--C 1.553 1.448 0 N-CA-C 118.208 2.349 . . . . 50.0 118.208 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.53 -30.15 23.82 Favored 'Trans proline' 0 C--N 1.362 1.287 1 C-N-CA 112.277 -4.682 . . . . 50.0 115.784 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -75.43 -30.93 60.19 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.795 -1.191 . . . . 50.0 108.45 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.36 71.52 Favored 'General case' 0 C--O 1.21 -0.997 0 C-N-CA 119.977 -0.689 . . . . 25.0 112.169 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -31.95 70.71 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.981 0.81 . . . . 50.0 111.843 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.97 -44.2 91.48 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 123.491 0.716 . . . . 25.0 111.777 173.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.16 -43.78 85.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.938 -0.573 . . . . 50.0 110.366 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 50.0 111.223 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -72.15 -23.8 61.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.767 -0.651 . . . . 50.0 112.113 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.7 -19.8 22.68 Favored Glycine 0 C--O 1.238 0.395 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.344 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 45.0 t0 -63.24 114.58 3.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.428 . . . . 50.0 111.357 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.98 -36.24 81.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.4 -0.593 . . . . 50.0 109.4 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.47 -52.12 66.96 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.668 -0.413 . . . . 50.0 110.287 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.2 ptmt -65.44 -38.35 89.61 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 120.182 -0.607 . . . . 50.0 110.079 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.22 -51.97 67.68 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 118.845 0.748 . . . . 50.0 111.784 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.9 t -64.01 -40.14 95.67 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.913 0.708 . . . . 50.0 112.913 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -44.82 96.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.046 -0.353 . . . . 50.0 110.046 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.94 -34.3 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.363 -0.606 . . . . 50.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.834 -0.541 . . . . 50.0 110.987 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.34 -35.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.363 -0.535 . . . . 50.0 111.172 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 . . . . . 0 N--CA 1.471 0.61 0 O-C-N 121.648 -0.657 . . . . 50.0 110.741 176.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo . . . . . 0 C--O 1.21 -0.922 0 N-CA-C 111.698 -0.155 . . . . 50.0 111.698 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.39 90.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.501 0.667 . . . . 25.0 110.717 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.65 -42.29 61.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.895 -1.048 . . . . 75.0 110.349 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.05 -38.66 86.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.253 -0.43 . . . . 50.0 110.643 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -58.13 -44.8 87.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.327 -0.62 . . . . 50.0 109.327 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.0 -46.83 76.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.07 -0.514 . . . . 50.0 110.795 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.6 ttp -60.58 -42.54 96.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.472 -0.331 . . . . 50.0 111.125 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -65.45 -43.75 89.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.962 0.356 . . . . 50.0 111.962 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.5 -36.08 82.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.746 0.308 . . . . 50.0 110.378 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.57 -15.94 59.73 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.633 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -109.36 102.56 49.88 Favored Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 112.631 0.604 . . . . 50.0 112.631 -174.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.39 -25.14 49.15 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 N-CA-C 115.988 1.495 . . . . 50.0 115.988 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -78.0 -41.95 34.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.864 0.84 . . . . 25.0 110.908 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -71.13 -37.01 72.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.034 -0.985 . . . . 50.0 109.648 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.98 67.43 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.008 -0.433 . . . . 50.0 110.154 177.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.8 m -74.41 -42.43 59.22 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.489 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.97 -30.37 70.48 Favored 'General case' 0 CA--C 1.484 -1.56 0 C-N-CA 119.319 -0.953 . . . . 50.0 108.733 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -68.96 -43.26 75.36 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.456 -0.793 . . . . 50.0 112.577 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.73 -28.55 66.92 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 119.804 -0.759 . . . . 50.0 111.607 175.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.64 -52.1 14.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.315 0.579 . . . . 50.0 111.961 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -85.96 -28.49 24.22 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.35 1.241 . . . . 50.0 114.35 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -138.36 70.1 46.89 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 113.473 0.916 . . . . 50.0 113.473 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.43 -37.27 89.48 Favored 'Trans proline' 0 CA--C 1.551 1.35 0 N-CA-C 117.801 2.193 . . . . 50.0 117.801 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.7 -29.25 29.73 Favored 'Trans proline' 0 C--N 1.36 1.159 1 C-N-CA 112.261 -4.693 . . . . 50.0 116.252 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.9 tp -75.3 -35.56 61.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.796 -1.19 . . . . 50.0 108.503 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.61 80.0 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.53 -30.84 70.01 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.026 0.83 . . . . 50.0 110.362 -176.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.427 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -66.41 -38.77 88.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.459 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -66.84 -44.97 79.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.935 -0.575 . . . . 50.0 110.393 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.24 -28.62 69.86 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.185 0.517 . . . . 50.0 112.273 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -74.12 -17.81 60.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.525 -0.761 . . . . 50.0 112.163 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.54 -30.27 4.19 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.356 -0.449 . . . . 25.0 113.713 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.23 110.35 0.93 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.51 0.672 . . . . 50.0 112.53 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.04 -33.9 76.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.739 -1.208 . . . . 50.0 107.739 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -51.14 -56.29 13.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 50.0 110.867 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.427 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.4 ptmt -73.36 -33.77 65.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.747 -0.66 . . . . 50.0 111.407 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.11 -50.9 71.88 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.471 -0.492 . . . . 50.0 110.375 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 t -61.36 -40.49 94.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.171 0.51 . . . . 50.0 112.251 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -63.08 -44.86 94.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.072 -0.392 . . . . 50.0 110.197 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.52 -32.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 119.537 -0.865 . . . . 50.0 109.185 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.68 -45.14 86.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.225 -0.297 . . . . 50.0 110.815 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.5 p -73.55 -35.6 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.261 -0.576 . . . . 50.0 111.07 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 . . . . . 0 N--CA 1.473 0.678 0 CA-C-N 118.586 0.63 . . . . 50.0 110.972 177.318 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo . . . . . 0 C--O 1.223 -0.266 0 N-CA-C 113.127 0.395 . . . . 50.0 113.127 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.74 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.323 -0.235 . . . . 25.0 111.587 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -77.95 -40.72 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.024 0.44 . . . . 50.0 110.408 -178.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.41 -40.71 93.74 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.67 -0.412 . . . . 50.0 111.248 -178.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -56.59 -45.06 81.57 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.922 -0.77 . . . . 75.0 108.922 176.373 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.47 -43.61 98.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.129 0.49 . . . . 50.0 111.631 -177.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -63.65 -49.54 72.84 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.986 -0.552 . . . . 50.0 111.088 178.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.819 -0.628 . . . . 50.0 112.305 -177.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.5 mt -63.32 -33.35 75.34 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.26 0.552 . . . . 50.0 109.782 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.02 -4.0 59.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 25.0 112.46 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -122.84 99.76 41.21 Favored Pre-proline 0 CA--C 1.534 0.343 0 N-CA-C 113.056 0.761 . . . . 50.0 113.056 -175.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -66.62 -24.52 48.16 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 N-CA-C 115.693 1.382 . . . . 50.0 115.693 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.29 -39.52 54.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.825 0.821 . . . . 25.0 110.796 178.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -75.47 -33.46 60.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.141 -0.936 . . . . 50.0 108.684 -174.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.59 -29.14 64.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 175.293 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -71.63 -43.33 66.35 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.157 -0.34 . . . . 25.0 111.223 -178.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.58 -29.38 69.42 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.997 0.903 . . . . 50.0 109.897 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -70.17 -45.68 66.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.094 -0.957 . . . . 50.0 112.148 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -66.71 -26.05 66.83 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 122.011 -0.431 . . . . 50.0 111.063 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.54 -54.52 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.196 0.522 . . . . 50.0 111.594 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -93.51 -23.89 18.18 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 116.394 1.998 . . . . 50.0 116.394 -169.245 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -135.7 71.94 63.74 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 112.134 0.42 . . . . 50.0 112.134 179.158 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.86 -39.56 89.49 Favored 'Trans proline' 0 CA--C 1.552 1.415 0 N-CA-C 117.845 2.209 . . . . 50.0 117.845 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.22 -32.26 27.32 Favored 'Trans proline' 0 C--N 1.361 1.226 1 C-N-CA 112.687 -4.408 . . . . 50.0 115.642 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -73.81 -32.45 63.73 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.897 -1.127 . . . . 50.0 108.995 177.085 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.25 68.42 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.924 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.1 -31.58 70.17 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.366 0.53 . . . . 50.0 111.866 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -59.43 -40.75 87.75 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 122.978 0.511 . . . . 25.0 111.28 174.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.8 -42.6 66.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.705 -0.68 . . . . 50.0 110.725 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.86 -33.38 75.15 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.768 0.794 . . . . 50.0 109.8 -176.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 t -71.55 -22.96 61.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.848 -1.069 . . . . 50.0 111.964 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.65 -17.44 35.24 Favored Glycine 0 N--CA 1.457 0.078 0 N-CA-C 114.199 0.44 . . . . 25.0 114.199 178.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -70.36 113.47 7.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.942 0.401 . . . . 50.0 111.502 -177.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.65 -33.45 75.93 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.653 -0.499 . . . . 50.0 109.653 177.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.23 -53.3 59.64 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.747 -0.464 . . . . 50.0 109.747 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.3 ptmt -67.94 -35.71 78.88 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.913 -0.715 . . . . 50.0 111.119 178.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -60.85 -51.12 70.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.677 0.671 . . . . 50.0 111.198 177.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -63.15 -38.23 90.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.054 0.39 . . . . 50.0 112.054 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.57 79.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.089 -0.337 . . . . 50.0 110.089 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.15 -34.31 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 C-N-CA 120.082 -0.647 . . . . 50.0 109.454 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.8 -44.97 86.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.892 -0.505 . . . . 75.0 111.812 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.1 p -76.62 -33.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.496 -0.482 . . . . 50.0 110.718 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 . . . . . 0 C--N 1.322 -0.602 0 O-C-N 121.757 -0.589 . . . . 50.0 110.909 177.214 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 C--O 1.213 -0.771 0 CA-C-O 120.277 0.032 . . . . 50.0 112.064 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.04 96.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.335 -0.228 . . . . 25.0 110.691 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.93 -41.39 64.59 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.358 -0.383 . . . . 50.0 110.145 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.01 -42.4 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.953 -0.388 . . . . 50.0 109.953 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -44.42 91.55 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.313 -0.625 . . . . 50.0 109.313 176.078 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.97 -43.98 90.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.878 0.37 . . . . 50.0 111.378 -177.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.12 -43.87 97.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.058 0.456 . . . . 50.0 110.458 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.36 -40.65 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.607 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.94 -37.75 85.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.208 0.528 . . . . 50.0 109.704 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.47 -13.56 59.01 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.978 0.733 . . . . 25.0 112.978 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -111.6 100.61 48.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.8 0.667 . . . . 50.0 112.8 -173.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.25 -25.61 57.21 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 N-CA-C 115.279 1.223 . . . . 50.0 115.279 -177.202 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -76.14 -43.36 43.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 25.0 111.161 178.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.98 -38.44 64.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 -174.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -30.11 71.29 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.595 -0.691 . . . . 50.0 110.826 176.137 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -74.82 -39.61 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.186 0.594 . . . . 25.0 111.216 -179.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.04 -33.77 74.12 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 108.49 -0.93 . . . . 50.0 108.49 176.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.83 -43.06 97.34 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.252 -0.886 . . . . 50.0 112.595 -178.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -68.54 -26.14 65.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.083 -0.647 . . . . 50.0 112.495 175.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -78.68 -51.89 9.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 50.0 110.656 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.14 -34.1 32.72 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.586 1.699 . . . . 50.0 115.586 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -137.35 66.77 52.61 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 113.179 0.807 . . . . 50.0 113.179 -176.351 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.31 -34.81 72.03 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 N-CA-C 118.071 2.297 . . . . 50.0 118.071 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.87 -29.14 28.83 Favored 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 112.403 -4.598 . . . . 50.0 116.014 177.054 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.47 -33.59 60.83 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.681 -1.262 . . . . 50.0 107.747 175.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.32 76.9 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.482 -0.781 . . . . 25.0 112.276 178.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.76 -32.57 72.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.07 0.85 . . . . 50.0 110.674 -177.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.467 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -59.78 -43.99 94.13 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 115.869 -0.605 . . . . 25.0 111.57 174.333 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.25 -41.13 90.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.695 -0.684 . . . . 50.0 110.693 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.81 -31.49 72.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.362 0.601 . . . . 50.0 110.756 -176.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.4 m -73.75 -24.24 59.85 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.473 -0.785 . . . . 50.0 111.644 -179.225 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.7 -11.95 54.4 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 116.306 -0.406 . . . . 25.0 112.563 -178.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -70.18 112.4 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 50.0 111.197 -178.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -36.95 85.51 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.726 -0.472 . . . . 50.0 109.726 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -57.09 -54.69 43.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.762 -0.586 . . . . 50.0 110.452 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.467 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.88 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 119.828 -0.749 . . . . 50.0 110.197 -179.419 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -59.8 -53.03 62.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 118.654 0.661 . . . . 50.0 111.993 176.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 t -63.86 -43.03 97.31 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 112.317 0.488 . . . . 50.0 112.317 -179.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -61.63 -45.25 94.85 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.837 -0.539 . . . . 50.0 111.504 -178.545 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.02 -34.22 62.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.037 -0.727 . . . . 50.0 109.037 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.17 -41.22 87.9 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 110.167 -0.309 . . . . 50.0 110.167 175.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.04 -44.38 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.051 0.387 . . . . 50.0 110.375 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--N 1.321 -0.649 0 CA-C-O 121.492 0.663 . . . . 50.0 109.904 179.708 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo . . . . . 0 C--O 1.214 -0.692 0 N-CA-C 112.657 0.214 . . . . 50.0 112.657 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.7 93.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.388 -0.195 . . . . 25.0 111.18 -179.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.07 -35.6 61.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.048 0.452 . . . . 50.0 110.443 -178.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 tp -68.78 -37.3 79.22 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.288 -0.258 . . . . 50.0 111.228 -178.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -61.32 -45.64 93.62 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 106.361 -1.718 . . . . 50.0 106.361 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.13 80.23 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.06 -1.427 . . . . 50.0 112.673 -179.215 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -60.97 -49.1 78.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.306 0.574 . . . . 50.0 110.431 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.25 -41.15 83.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.402 -0.817 . . . . 50.0 112.774 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.42 -37.34 86.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.947 0.403 . . . . 50.0 110.341 179.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.21 -11.12 59.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.328 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -109.94 96.05 23.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 112.262 0.467 . . . . 50.0 112.262 -174.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.79 -29.53 76.96 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 N-CA-C 115.165 1.179 . . . . 50.0 115.165 -175.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -76.01 -38.76 56.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 25.0 112.149 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.82 -37.82 62.21 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 107.383 -1.34 . . . . 50.0 107.383 -176.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -31.87 72.26 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.399 -0.521 . . . . 75.0 112.207 179.467 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -74.66 -39.29 62.12 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.123 0.487 . . . . 25.0 110.375 -178.311 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.59 -33.8 69.36 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.682 0.753 . . . . 50.0 109.465 177.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.477 0.917 . . . . 50.0 113.477 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.46 -26.18 66.26 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 119.896 -0.722 . . . . 50.0 111.544 175.302 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -77.5 -51.89 9.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.415 0.15 . . . . 50.0 110.864 176.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -73.49 -38.2 65.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.364 1.616 . . . . 50.0 115.364 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -136.97 73.16 53.17 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 114.391 1.256 . . . . 50.0 114.391 -173.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.51 -38.15 94.33 Favored 'Trans proline' 0 CA--C 1.555 1.567 0 N-CA-C 118.144 2.325 . . . . 50.0 118.144 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.31 -30.96 23.52 Favored 'Trans proline' 0 C--N 1.362 1.266 1 C-N-CA 112.308 -4.661 . . . . 50.0 115.959 178.15 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.98 -31.21 62.88 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.791 -1.193 . . . . 50.0 108.284 175.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.14 73.99 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 118.653 -0.689 . . . . 25.0 112.215 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -59.96 -31.85 70.27 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.454 1.024 . . . . 50.0 110.988 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.535 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.22 -45.74 87.12 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.545 -0.752 . . . . 25.0 112.169 173.175 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 tp -66.29 -42.73 87.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.598 -0.728 . . . . 50.0 110.689 177.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.37 -31.29 72.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.288 0.566 . . . . 50.0 111.055 -175.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.9 -23.34 60.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.583 -0.735 . . . . 50.0 111.863 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.52 -20.18 19.77 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 116.37 -0.377 . . . . 25.0 112.206 -178.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 46.5 t0 -62.64 113.78 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.78 0.432 . . . . 50.0 111.503 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.74 -37.5 87.81 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 176.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.35 -53.34 59.37 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.982 -0.449 . . . . 50.0 110.556 -175.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 8.7 ptmt -63.97 -37.56 87.87 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.227 -0.589 . . . . 50.0 109.939 178.207 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -59.55 -51.44 69.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.66 0.664 . . . . 50.0 112.274 176.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.5 t -65.31 -40.0 93.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.541 0.571 . . . . 50.0 112.541 178.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.44 90.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.315 -0.624 . . . . 50.0 109.315 -178.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.49 -34.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tp -54.4 -44.98 72.79 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.795 -0.566 . . . . 50.0 110.467 178.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.99 -42.67 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.823 0.344 . . . . 50.0 110.975 177.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 N--CA 1.472 0.662 0 O-C-N 121.844 -0.535 . . . . 50.0 110.783 179.11 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HB3' HD21 ' A' ' 61' ' ' LEU . 43.0 Cg_endo . . . . . 0 C--O 1.219 -0.445 0 N-CA-C 112.782 0.262 . . . . 50.0 112.782 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.29 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.808 -0.442 . . . . 25.0 109.808 177.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.01 -35.63 49.66 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.966 -0.561 . . . . 50.0 110.184 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.28 -45.4 93.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.205 -0.665 . . . . 50.0 109.205 178.362 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -58.38 -47.23 84.53 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 116.07 -0.513 . . . . 50.0 109.886 177.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.36 -44.83 95.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.689 0.281 . . . . 50.0 111.59 -178.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.6 ttp -61.64 -47.32 85.92 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 120.766 0.317 . . . . 50.0 110.246 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.4 -44.31 97.37 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 113.074 0.768 . . . . 50.0 113.074 177.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.57 -34.88 77.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.533 . . . . 50.0 109.562 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.33 -29.38 61.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -106.57 105.9 56.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 112.856 0.688 . . . . 50.0 112.856 -167.393 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.5 -23.93 42.95 Favored 'Trans proline' 0 C--O 1.22 -0.377 0 N-CA-C 115.76 1.408 . . . . 50.0 115.76 -175.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -76.46 -44.71 34.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.212 1.006 . . . . 25.0 110.138 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -33.33 68.81 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.496 -1.229 . . . . 50.0 110.247 -174.473 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -27.88 60.59 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.891 -0.506 . . . . 50.0 110.26 177.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -43.08 59.7 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.204 -177.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.32 -29.46 69.66 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 119.518 -0.873 . . . . 50.0 109.81 178.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -69.24 -43.24 74.41 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.122 -0.944 . . . . 50.0 112.105 -177.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -69.53 -26.77 64.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 120.19 -0.604 . . . . 50.0 111.588 175.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.64 -51.95 15.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.596 0.236 . . . . 50.0 111.066 176.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -89.87 -28.05 19.5 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 117.186 2.291 . . . . 50.0 117.186 -174.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -134.86 71.35 70.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 112.945 0.72 . . . . 50.0 112.945 -177.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -55.51 -37.01 95.42 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 118.195 2.344 . . . . 50.0 118.195 -178.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.76 -30.23 27.76 Favored 'Trans proline' 0 C--N 1.363 1.318 1 C-N-CA 112.689 -4.407 . . . . 50.0 115.756 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.46 -34.38 60.92 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.073 -1.017 . . . . 50.0 108.462 175.241 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -49.13 74.35 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.71 -31.0 69.2 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.863 0.756 . . . . 50.0 110.386 -178.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.517 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.24 -41.54 99.11 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.981 -0.554 . . . . 25.0 110.191 177.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -67.22 -42.07 84.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.511 -0.768 . . . . 50.0 111.241 176.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.23 -33.5 75.63 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.54 0.686 . . . . 50.0 112.476 -172.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.6 m -73.3 -18.74 61.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.856 -0.611 . . . . 50.0 111.714 177.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.91 -16.32 32.87 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 116.514 -0.312 . . . . 25.0 113.286 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.94 115.34 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.413 0.625 . . . . 50.0 111.961 -177.438 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.85 -34.55 78.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.009 -1.108 . . . . 50.0 108.009 178.102 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -55.37 -48.86 73.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.447 0.641 . . . . 50.0 110.877 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 16.4 ptmt -75.22 -37.26 61.17 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.027 -0.669 . . . . 50.0 111.579 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -60.19 -48.32 82.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.674 0.67 . . . . 50.0 110.719 177.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 t -66.68 -42.62 86.25 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.898 0.38 . . . . 50.0 111.066 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -63.56 -44.96 92.61 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.259 -0.576 . . . . 50.0 110.775 -178.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.29 -34.03 66.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 108.786 -0.82 . . . . 50.0 108.786 179.094 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 21' ' ' PRO . 2.0 tp -56.63 -45.07 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.088 -0.382 . . . . 50.0 110.835 176.257 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.58 -43.75 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.77 0.319 . . . . 50.0 110.196 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 . . . . . 0 C--N 1.32 -0.697 0 C-N-CA 120.729 -0.388 . . . . 50.0 111.341 179.281 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo . . . . . 0 C--O 1.214 -0.678 0 N-CA-C 112.713 0.236 . . . . 50.0 112.713 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.2 96.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.841 0.312 . . . . 25.0 111.841 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.2 mt -77.39 -37.01 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.945 -0.57 . . . . 50.0 110.529 -176.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.59 -39.17 88.29 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.457 -0.572 . . . . 50.0 109.457 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -44.51 87.51 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.43 -0.581 . . . . 50.0 109.43 175.429 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.32 -46.8 81.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 50.0 111.398 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.61 -49.84 76.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.505 0.669 . . . . 50.0 110.612 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.86 -42.85 99.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.39 -0.823 . . . . 50.0 112.417 -178.303 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.3 -37.99 89.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.097 0.475 . . . . 50.0 110.479 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.64 -18.98 56.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.596 -0.729 . . . . 25.0 112.264 -178.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -104.3 104.11 42.58 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 112.496 0.554 . . . . 50.0 112.496 -173.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -67.18 -26.61 42.27 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 N-CA-C 115.686 1.379 . . . . 50.0 115.686 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -76.15 -44.02 40.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.835 . . . . 25.0 110.091 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.63 71.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.193 -0.912 . . . . 50.0 109.807 -173.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -30.41 71.09 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.891 -0.506 . . . . 50.0 110.616 176.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -74.67 -40.39 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.476 0.711 . . . . 25.0 110.734 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -33.8 74.11 Favored 'General case' 0 CA--C 1.483 -1.603 0 N-CA-C 108.244 -1.021 . . . . 50.0 108.244 177.756 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.67 -45.16 94.08 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.296 -0.865 . . . . 50.0 112.608 -178.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.98 -26.49 66.83 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.798 0.666 . . . . 50.0 112.798 175.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.14 -50.45 9.03 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.119 0.485 . . . . 50.0 111.612 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -78.75 -34.31 45.84 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.563 1.32 . . . . 50.0 114.563 -178.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -139.01 66.53 39.49 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 113.743 1.016 . . . . 50.0 113.743 -174.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -54.26 -34.7 80.76 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 N-CA-C 118.67 2.527 . . . . 50.0 118.67 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.34 -32.15 26.73 Favored 'Trans proline' 0 C--N 1.363 1.314 1 C-N-CA 112.62 -4.453 . . . . 50.0 115.407 178.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.0 tp -75.3 -34.12 61.26 Favored 'General case' 0 CA--C 1.516 -0.362 0 O-C-N 121.001 -1.062 . . . . 50.0 108.263 176.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.88 -49.34 77.87 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.944 0.793 . . . . 50.0 110.813 -177.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.4 -40.89 98.45 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.837 176.431 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.56 -42.82 86.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.504 . . . . 50.0 110.566 177.228 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.59 -27.66 69.4 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.078 0.466 . . . . 50.0 111.5 -174.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 m -76.5 -22.72 54.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 112.839 0.681 . . . . 50.0 112.839 -177.46 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.9 -25.75 6.53 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.471 -0.395 . . . . 25.0 112.526 -176.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -57.42 102.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.864 1.266 . . . . 50.0 112.326 177.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.58 -34.04 76.18 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.705 -0.85 . . . . 50.0 108.705 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -54.37 -50.8 66.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.032 0.444 . . . . 50.0 111.404 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -73.38 -35.62 65.94 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 120.152 -0.619 . . . . 50.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -59.81 -50.67 72.92 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.236 -0.586 . . . . 50.0 111.112 177.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.4 t -64.72 -39.74 94.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.937 0.717 . . . . 50.0 112.937 178.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -60.11 -50.16 74.78 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 178.175 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.0 -34.15 65.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.702 -0.851 . . . . 50.0 108.702 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 tp -57.06 -47.68 80.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.092 -0.38 . . . . 50.0 111.41 178.127 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.37 -34.72 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.526 -0.47 . . . . 50.0 111.264 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 109.24 -0.652 . . . . 50.0 109.24 175.612 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo . . . . . 0 C--O 1.218 -0.49 0 N-CA-C 112.663 0.217 . . . . 50.0 112.663 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.044 -0.41 . . . . 25.0 110.7 178.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.96 -33.15 57.67 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.411 -0.358 . . . . 75.0 110.409 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.422 -0.584 . . . . 50.0 109.422 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -57.63 -41.99 82.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.009 -0.737 . . . . 50.0 109.009 177.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.11 -44.92 87.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.878 0.371 . . . . 50.0 111.798 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.8 ttp -63.16 -43.45 98.25 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.562 -0.29 . . . . 50.0 110.355 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.7 -44.16 96.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.498 0.555 . . . . 50.0 112.498 177.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.58 -34.63 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 50.0 109.947 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.24 -10.94 59.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.784 -0.644 . . . . 25.0 112.471 178.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -118.1 99.04 51.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 112.71 0.633 . . . . 50.0 112.71 -175.346 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.1 -25.61 58.33 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 115.362 1.255 . . . . 50.0 115.362 -176.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -76.18 -40.88 51.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.73 0.776 . . . . 25.0 110.707 178.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.66 -37.47 62.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.695 0.759 . . . . 50.0 109.083 -174.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -30.2 70.69 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.704 -0.623 . . . . 50.0 110.243 176.521 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.82 -42.6 57.73 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.965 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.04 -30.09 70.56 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.281 1.039 . . . . 50.0 109.713 178.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 tp -66.33 -44.37 83.55 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.497 -1.229 . . . . 50.0 111.794 -179.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -73.19 -26.17 61.06 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 119.83 -0.748 . . . . 50.0 112.01 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -69.09 -46.82 66.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.133 0.492 . . . . 50.0 110.615 177.128 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -106.17 -23.99 12.45 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 117.941 2.571 . . . . 50.0 117.941 -173.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -134.14 67.5 73.29 Favored Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 112.952 0.723 . . . . 50.0 112.952 -178.197 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -54.89 -34.52 86.13 Favored 'Trans proline' 0 CA--C 1.549 1.26 0 N-CA-C 118.632 2.512 . . . . 50.0 118.632 -177.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.59 -34.01 26.84 Favored 'Trans proline' 0 C--N 1.361 1.221 1 C-N-CA 112.698 -4.401 . . . . 50.0 115.149 177.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.59 -31.7 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.025 -1.047 . . . . 50.0 108.359 176.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.34 76.12 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.708 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.13 -31.35 69.99 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.781 0.719 . . . . 50.0 110.525 -178.029 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.526 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.36 -42.07 99.11 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.368 -0.833 . . . . 25.0 111.596 176.813 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.8 tp -67.13 -42.91 83.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.19 -33.17 75.18 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.191 0.519 . . . . 50.0 110.935 -174.703 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -72.09 -24.02 61.43 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.614 -0.721 . . . . 50.0 111.541 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.81 -22.06 12.88 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 121.485 -0.388 . . . . 25.0 112.706 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.79 108.57 1.21 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.362 0.601 . . . . 50.0 111.189 -179.411 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.68 -34.38 77.0 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.242 -1.392 . . . . 50.0 107.242 178.103 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.05 -51.9 66.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.019 0.438 . . . . 50.0 110.556 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 14.5 ptmt -69.44 -37.35 77.34 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.647 -0.821 . . . . 50.0 111.434 178.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -58.67 -50.21 74.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.573 0.624 . . . . 50.0 110.953 175.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -64.31 -42.57 96.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.88 0.696 . . . . 50.0 112.88 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.57 -48.37 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.909 -0.495 . . . . 50.0 110.044 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.95 -34.1 67.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 -178.577 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.6 tp -53.09 -45.17 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.095 -0.378 . . . . 50.0 111.148 177.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.81 -42.92 82.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.754 0.311 . . . . 50.0 110.188 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 C--N 1.322 -0.629 0 CA-C-O 120.997 0.427 . . . . 50.0 110.662 -178.044 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo . . . . . 0 C--O 1.215 -0.668 0 N-CA-C 113.019 0.354 . . . . 50.0 113.019 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.438 -0.579 . . . . 25.0 109.438 177.051 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.82 -39.64 76.38 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 109.824 -0.436 . . . . 50.0 109.824 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.96 -44.09 90.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.445 -0.502 . . . . 75.0 110.426 178.036 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -56.53 -45.03 81.34 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 176.256 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -43.17 90.66 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.228 0.455 . . . . 50.0 112.228 -177.783 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.0 -48.56 81.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.415 0.626 . . . . 50.0 109.421 177.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.74 -42.25 96.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.381 -0.827 . . . . 50.0 111.913 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.54 -37.27 85.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 50.0 110.537 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.55 -14.86 57.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.654 -179.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -108.39 99.98 35.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 -173.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.57 -25.37 55.01 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 N-CA-C 115.234 1.205 . . . . 50.0 115.234 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -76.08 -43.1 45.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.466 0.65 . . . . 25.0 111.026 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.38 -39.49 62.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.599 . . . . 50.0 109.462 -174.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -29.28 70.15 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.752 -0.593 . . . . 50.0 110.419 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 t -74.67 -42.23 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.068 0.547 . . . . 25.0 111.336 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.42 -32.5 73.43 Favored 'General case' 0 CA--C 1.481 -1.701 0 O-C-N 121.527 -0.733 . . . . 50.0 109.142 177.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -64.92 -45.15 87.06 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 115.095 -0.957 . . . . 50.0 112.016 -179.249 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.51 -27.85 66.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 119.884 -0.726 . . . . 50.0 112.268 174.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -48.23 31.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.244 0.545 . . . . 50.0 111.807 177.279 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -93.26 -32.72 14.23 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.837 1.791 . . . . 50.0 115.837 -175.307 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -131.07 67.62 80.97 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 112.991 0.738 . . . . 50.0 112.991 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -55.32 -35.23 91.05 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 118.16 2.331 . . . . 50.0 118.16 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -69.4 -28.54 26.88 Favored 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 112.395 -4.603 . . . . 50.0 115.648 177.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.5 tp -75.51 -35.13 60.83 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.711 -1.243 . . . . 50.0 108.305 174.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -47.99 81.1 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.816 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.67 -31.47 70.72 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.832 0.742 . . . . 50.0 110.619 -176.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.36 86.97 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.132 -0.486 . . . . 25.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.39 -42.86 82.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.983 -0.553 . . . . 50.0 110.24 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.99 -28.86 70.38 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.763 0.792 . . . . 50.0 110.049 -176.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -79.68 -14.95 58.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.818 -1.083 . . . . 50.0 112.513 -177.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.73 -30.58 3.47 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.648 0.619 . . . . 25.0 114.648 178.042 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.77 109.56 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.268 0.556 . . . . 50.0 112.447 -178.742 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.8 -33.86 76.08 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 106.726 -1.583 . . . . 50.0 106.726 176.205 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.62 -54.29 39.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 50.0 111.795 179.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -73.37 -32.84 64.74 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 120.528 -0.469 . . . . 50.0 110.242 -177.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.01 -51.71 65.77 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 123.116 0.26 . . . . 50.0 110.604 177.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 t -65.0 -40.79 95.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.916 0.389 . . . . 50.0 110.087 -178.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -49.85 72.35 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.278 -0.569 . . . . 50.0 111.231 -178.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.5 -29.38 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.321 -0.622 . . . . 50.0 109.321 -178.423 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.24 -41.45 93.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.386 -0.598 . . . . 50.0 109.386 176.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.13 -37.13 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 122.395 -0.19 . . . . 50.0 110.797 178.3 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 108.63 -0.878 . . . . 50.0 108.63 174.659 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo . . . . . 0 C--O 1.216 -0.623 0 N-CA-C 112.789 0.265 . . . . 50.0 112.789 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.94 82.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 -178.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 mt -68.56 -45.68 71.48 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.89 -0.411 . . . . 50.0 109.89 178.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.79 -39.77 95.06 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.852 -0.339 . . . . 50.0 111.456 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -58.77 -45.11 90.52 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.258 -1.016 . . . . 50.0 108.258 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.96 -42.52 76.51 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.548 -0.461 . . . . 50.0 111.252 -174.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.2 ttp -62.02 -42.52 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.771 0.428 . . . . 50.0 111.144 177.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -65.9 -42.82 89.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.88 0.371 . . . . 50.0 110.874 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.49 -38.23 89.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.251 0.548 . . . . 50.0 110.251 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.84 -15.64 59.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.27 -179.173 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -109.07 97.08 23.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.029 0.442 . . . . 50.0 111.642 -174.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.73 -25.61 61.06 Favored 'Trans proline' 0 C--N 1.346 0.415 0 N-CA-C 114.961 1.1 . . . . 50.0 114.961 -175.226 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -75.95 -42.25 49.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.14 0.495 . . . . 25.0 110.951 178.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.59 -43.9 62.74 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 108.829 -0.804 . . . . 50.0 108.829 -175.277 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -30.16 66.43 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.845 -0.534 . . . . 50.0 111.367 177.359 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -74.66 -39.94 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.738 0.815 . . . . 25.0 111.298 179.301 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.74 -33.59 68.82 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 108.429 -0.952 . . . . 50.0 108.429 177.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.52 -46.54 89.77 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.15 -0.932 . . . . 50.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -65.94 -26.14 67.45 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.241 0.83 . . . . 50.0 113.241 174.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.74 -45.17 14.74 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 178.35 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.23 -31.4 17.92 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.639 1.348 . . . . 50.0 114.639 -176.445 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.58 64.44 51.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 113.122 0.786 . . . . 50.0 113.122 -177.037 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.62 -34.33 82.73 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 N-CA-C 118.725 2.548 . . . . 50.0 118.725 -177.293 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.42 -33.49 23.04 Favored 'Trans proline' 0 C--N 1.361 1.204 1 C-N-CA 112.525 -4.516 . . . . 50.0 115.426 178.57 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.26 -33.59 61.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.719 -1.215 . . . . 75.0 107.719 176.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.62 -49.33 77.04 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 118.439 -0.791 . . . . 25.0 112.281 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.96 -31.51 71.85 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.585 1.084 . . . . 50.0 110.775 -176.106 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.9 -43.18 96.74 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.067 176.176 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.09 -43.37 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.698 179.01 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.49 -33.06 75.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.394 0.616 . . . . 50.0 110.599 -173.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.7 m -73.18 -21.97 60.57 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.288 -0.869 . . . . 50.0 112.074 -178.067 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.64 -20.3 32.2 Favored Glycine 0 CA--C 1.516 0.143 0 N-CA-C 114.896 0.718 . . . . 25.0 114.896 177.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.62 119.25 11.41 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 118.164 0.982 . . . . 50.0 111.481 -178.394 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.5 -35.11 78.5 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.106 -0.638 . . . . 50.0 109.846 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.97 -46.58 84.91 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.837 -0.745 . . . . 50.0 111.084 178.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 18.7 ptmt -70.68 -37.44 73.64 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 109.206 -0.664 . . . . 50.0 109.206 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -62.47 -49.85 73.78 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.298 -0.561 . . . . 50.0 111.371 178.173 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -67.02 -38.89 86.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.794 0.665 . . . . 50.0 112.794 -179.127 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.77 -45.08 83.86 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.529 -0.545 . . . . 50.0 109.529 -178.703 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.17 -34.27 68.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.209 -0.663 . . . . 50.0 109.209 177.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.7 tp -53.84 -43.53 69.56 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 122.157 -0.34 . . . . 75.0 110.833 177.661 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.74 -44.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 117.994 0.361 . . . . 50.0 111.167 177.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 121.716 0.77 . . . . 50.0 109.298 179.977 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo . . . . . 0 C--O 1.217 -0.562 0 CA-C-O 120.546 0.144 . . . . 50.0 111.904 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.95 87.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.63 0.253 . . . . 25.0 111.058 179.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.58 -41.51 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.546 -0.752 . . . . 50.0 110.782 -177.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.77 -39.15 90.74 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.47 -0.492 . . . . 50.0 110.357 -179.118 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -43.21 93.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 175.592 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -64.87 -46.19 82.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.227 0.537 . . . . 50.0 111.201 -177.611 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -60.67 -48.37 82.07 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.892 -0.595 . . . . 50.0 110.162 178.08 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.052 0.76 . . . . 50.0 113.052 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.89 -34.63 78.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.565 -0.454 . . . . 50.0 110.445 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.5 -15.37 56.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -109.62 102.18 49.02 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 112.1 0.407 . . . . 50.0 112.1 -173.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.73 -25.07 46.72 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 N-CA-C 115.101 1.154 . . . . 50.0 115.101 -177.306 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -77.63 -44.35 28.48 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.726 -0.608 . . . . 25.0 110.839 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.83 76.77 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 -175.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -30.41 69.95 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.491 -0.756 . . . . 50.0 111.106 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -74.32 -46.75 38.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.642 0.377 . . . . 25.0 110.809 179.147 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.05 -29.85 70.77 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 119.921 -0.712 . . . . 50.0 109.987 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.67 -42.2 74.48 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 113.016 0.747 . . . . 50.0 113.016 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.06 -26.27 66.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 119.779 -0.768 . . . . 50.0 110.703 175.048 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.75 -53.42 8.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.683 0.253 . . . . 50.0 111.683 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -80.7 -29.47 36.46 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.07 1.878 . . . . 50.0 116.07 -175.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.09 69.22 41.72 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 114.324 1.231 . . . . 50.0 114.324 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -55.86 -35.76 94.4 Favored 'Trans proline' 0 CA--C 1.552 1.404 0 N-CA-C 118.424 2.432 . . . . 50.0 118.424 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.05 -28.92 28.08 Favored 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 112.519 -4.52 . . . . 50.0 115.817 178.016 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -75.49 -35.58 60.78 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.204 . . . . 50.0 108.324 175.344 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.17 77.24 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.203 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.29 -31.37 69.06 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.205 0.911 . . . . 50.0 111.384 -177.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.23 96.87 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.092 0.472 . . . . 25.0 110.743 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.75 -44.13 67.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.604 -0.726 . . . . 50.0 110.506 178.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.36 -29.7 70.96 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.781 0.801 . . . . 50.0 110.213 -175.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.4 t -76.31 -18.7 58.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.984 -1.007 . . . . 50.0 112.315 -178.114 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.78 -23.68 18.84 Favored Glycine 0 C--O 1.23 -0.143 0 N-CA-C 114.873 0.709 . . . . 25.0 114.873 174.667 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -68.83 114.66 7.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.989 0.423 . . . . 50.0 111.764 -178.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.74 -34.99 79.12 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.714 -0.847 . . . . 50.0 108.714 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.81 -51.69 68.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.825 -0.35 . . . . 50.0 110.563 -178.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -67.03 -35.44 79.9 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 119.866 -0.734 . . . . 50.0 110.731 178.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.82 -50.27 72.96 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 120.586 -0.446 . . . . 50.0 110.767 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -62.44 -43.0 99.87 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.067 0.547 . . . . 50.0 111.788 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -62.78 -45.31 93.25 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 116.247 -0.433 . . . . 50.0 110.228 -178.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.38 -32.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.24 -47.56 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.924 -0.485 . . . . 75.0 111.861 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.57 -34.36 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.06 -0.656 . . . . 50.0 111.048 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 50.0 108.989 176.079 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 C--O 1.215 -0.64 0 CA-C-O 120.347 0.061 . . . . 50.0 112.104 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.41 93.17 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.391 -0.193 . . . . 25.0 110.829 -179.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.68 -38.41 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.086 -0.339 . . . . 50.0 110.086 -177.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.8 -40.95 92.42 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.967 -0.293 . . . . 50.0 110.507 179.363 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.24 -44.68 92.34 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.58 -0.896 . . . . 50.0 108.58 176.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -43.55 93.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.089 -0.505 . . . . 50.0 112.357 -177.305 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.02 -43.48 98.59 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.996 0.426 . . . . 50.0 110.998 176.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.23 -40.24 93.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.259 -0.428 . . . . 50.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.38 -33.34 75.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.94 0.4 . . . . 50.0 110.62 178.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.0 -16.38 47.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -113.35 107.38 53.63 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.32 0.859 . . . . 50.0 113.32 -171.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.83 -30.5 40.52 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 N-CA-C 116.537 1.706 . . . . 50.0 116.537 -174.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -76.08 -37.39 58.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.643 1.211 . . . . 25.0 110.369 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.34 58.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.184 -0.917 . . . . 50.0 109.588 -174.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -30.5 61.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.346 -0.388 . . . . 50.0 111.221 175.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.4 p -74.76 -40.25 61.32 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 122.259 -0.275 . . . . 25.0 111.268 -179.15 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.22 -31.76 73.08 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.094 0.949 . . . . 50.0 109.444 176.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.19 -43.95 80.87 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.736 -1.12 . . . . 50.0 112.121 -177.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.2 -29.56 68.44 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.087 -0.645 . . . . 50.0 111.427 175.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.36 -51.93 13.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.236 0.458 . . . . 50.0 112.236 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -91.89 -23.69 19.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.812 1.782 . . . . 50.0 115.812 -174.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -135.97 66.3 61.07 Favored Pre-proline 0 N--CA 1.482 1.168 0 N-CA-C 114.261 1.208 . . . . 50.0 114.261 177.651 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.37 -35.18 83.5 Favored 'Trans proline' 0 CA--C 1.555 1.532 0 N-CA-C 118.912 2.62 . . . . 50.0 118.912 -178.336 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.17 -31.85 22.28 Favored 'Trans proline' 0 C--N 1.361 1.214 1 C-N-CA 112.653 -4.432 . . . . 50.0 115.728 178.16 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -75.45 -31.34 60.27 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.02 -1.104 . . . . 50.0 108.02 175.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.38 72.69 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.658 -0.687 . . . . 25.0 112.641 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -32.14 70.27 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.153 0.888 . . . . 50.0 110.888 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.528 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.69 -43.99 97.39 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.634 -0.712 . . . . 25.0 112.268 174.569 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.99 -43.38 87.94 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.315 -0.857 . . . . 50.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.41 -32.41 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.307 0.575 . . . . 50.0 110.668 -174.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.8 m -70.31 -24.61 63.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.529 -0.759 . . . . 50.0 111.88 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.31 -15.63 38.77 Favored Glycine 0 CA--C 1.518 0.225 0 CA-C-N 116.312 -0.403 . . . . 25.0 112.224 -177.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -65.94 113.63 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 50.0 110.95 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -65.7 -36.3 83.24 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 109.639 -0.504 . . . . 50.0 109.639 177.183 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.83 -52.04 67.13 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.894 -0.504 . . . . 50.0 110.866 -177.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.528 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.0 ptmt -66.21 -36.5 83.2 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.727 -0.654 . . . . 50.0 109.378 179.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.61 -52.08 65.84 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 118.383 0.538 . . . . 50.0 112.145 176.274 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.4 t -63.63 -38.45 91.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.157 0.503 . . . . 50.0 112.054 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -48.58 72.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.695 -0.483 . . . . 50.0 109.695 -178.596 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.26 33.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.558 -0.904 . . . . 50.0 108.558 -178.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.83 -47.72 84.56 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.782 -0.574 . . . . 75.0 111.206 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.19 -34.08 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.253 -0.579 . . . . 50.0 110.886 -178.821 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--N 1.321 -0.666 0 N-CA-C 109.226 -0.657 . . . . 50.0 109.226 175.54 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.1 m . . . . . 0 N--CA 1.528 3.446 0 CA-C-O 122.936 1.35 . . . . 25.0 113.535 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -76.82 133.76 39.27 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -140.73 167.82 21.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.113 -1.44 . . . . 25.0 107.113 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.6 p -149.34 167.43 26.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.051 -1.462 . . . . 25.0 107.051 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -138.6 154.86 48.71 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -93.56 163.54 13.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -127.93 71.39 78.55 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.134 0.492 . . . . 25.0 110.744 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -74.65 178.09 7.58 Favored 'Trans proline' 0 C--N 1.347 0.475 0 N-CA-C 110.571 -0.588 . . . . 50.0 110.571 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.06 25.26 3.64 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 115.118 0.807 . . . . 25.0 115.118 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.45 30.09 0.92 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.955 0.883 . . . . 25.0 111.344 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.01 -7.33 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.351 0 CA-C-O 123.334 1.54 . . . . 50.0 112.118 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.53 78.87 1.8 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 113.487 -1.688 . . . . 25.0 112.397 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -127.03 0.89 6.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.619 -1.173 . . . . 25.0 114.067 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.6 m 43.74 51.54 7.74 Favored Pre-proline 0 N--CA 1.484 1.236 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.1 -20.11 22.07 Favored 'Trans proline' 0 C--N 1.35 0.605 0 N-CA-C 115.995 1.498 . . . . 50.0 115.995 -169.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -80.4 22.79 0.53 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 112.582 0.586 . . . . 50.0 112.582 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.39 29.7 75.32 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.931 -0.652 . . . . 25.0 112.087 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.92 -36.88 83.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.778 0.799 . . . . 50.0 110.591 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.5 -19.61 30.94 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.567 -1.197 . . . . 25.0 110.269 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -123.58 77.99 55.39 Favored Pre-proline 0 C--O 1.243 0.75 0 N-CA-C 112.5 0.556 . . . . 50.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -60.62 -27.33 84.64 Favored 'Trans proline' 0 C--O 1.219 -0.433 0 N-CA-C 113.175 0.413 . . . . 50.0 113.175 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.92 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.868 0.366 . . . . 25.0 110.192 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.49 -39.29 67.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.733 -0.667 . . . . 50.0 110.688 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.77 -42.23 91.1 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.76 -0.376 . . . . 50.0 110.508 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.33 -43.85 88.42 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 108.46 -0.941 . . . . 50.0 108.46 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -46.63 85.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.199 -0.455 . . . . 50.0 111.638 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.65 -42.98 99.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.804 0.335 . . . . 50.0 110.999 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.7 mt -64.01 -42.65 97.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.428 -0.351 . . . . 75.0 111.337 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.92 -35.12 79.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.913 0.387 . . . . 50.0 110.071 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -10.98 59.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -116.79 101.9 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 112.641 0.608 . . . . 50.0 112.641 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -66.49 -24.74 48.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.646 1.364 . . . . 50.0 115.646 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.04 -43.35 44.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.731 0.777 . . . . 25.0 110.455 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -70.9 -41.08 71.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.451 -0.795 . . . . 50.0 108.88 -174.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -30.3 71.26 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.916 -0.49 . . . . 50.0 110.872 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -74.67 -41.03 61.04 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.869 0.468 . . . . 25.0 111.412 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -33.73 74.38 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.2 tp -64.68 -44.23 90.99 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.366 -0.834 . . . . 50.0 112.048 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.02 -26.24 64.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.925 -0.71 . . . . 50.0 112.596 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.67 -51.89 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.242 0.544 . . . . 50.0 110.863 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -82.37 -34.09 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.75 1.389 . . . . 50.0 114.75 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -135.19 69.05 69.72 Favored Pre-proline 0 C--O 1.243 0.715 0 N-CA-C 113.56 0.948 . . . . 50.0 113.56 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -55.4 -35.8 92.6 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 N-CA-C 118.394 2.421 . . . . 50.0 118.394 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.22 -29.37 26.57 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.5 -4.534 . . . . 50.0 115.84 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.9 tp -75.51 -35.44 60.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 120.658 -1.276 . . . . 50.0 108.09 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.67 82.49 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 115.604 -0.725 . . . . 25.0 112.75 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -61.46 -31.29 71.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.929 0.786 . . . . 50.0 110.974 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.23 90.32 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.369 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.48 -42.46 74.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.362 -0.381 . . . . 50.0 110.507 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.76 -27.27 69.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.555 0.693 . . . . 50.0 110.343 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -78.19 -17.53 56.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.05 -0.977 . . . . 50.0 112.353 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.03 -31.82 4.24 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 114.757 0.663 . . . . 25.0 114.757 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -58.43 109.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.783 0.833 . . . . 50.0 112.466 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.42 -36.66 83.08 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.928 -1.138 . . . . 50.0 107.928 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.83 -44.07 86.21 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.776 -0.578 . . . . 50.0 112.307 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.22 -34.55 61.48 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.668 -0.645 . . . . 50.0 110.1 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.8 -49.88 75.72 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.555 -0.458 . . . . 50.0 110.004 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -62.92 -43.52 98.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.606 0.595 . . . . 50.0 112.606 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.72 -47.7 83.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.318 . . . . 50.0 110.18 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.03 -32.6 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.308 -0.627 . . . . 50.0 109.308 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.1 tp -57.12 -44.57 83.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.872 -0.517 . . . . 50.0 110.493 178.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.5 t -68.13 -43.16 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 120.655 0.264 . . . . 50.0 110.514 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.7 -41.88 91.74 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.276 0.56 . . . . 50.0 110.185 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -67.12 -37.88 84.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.389 -0.369 . . . . 50.0 110.896 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.18 -37.4 85.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.841 -0.537 . . . . 50.0 110.905 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.45 -43.49 97.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 50.0 109.749 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.69 -36.93 76.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.961 0.41 . . . . 50.0 111.52 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -60.36 -52.55 64.76 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 107.317 -1.364 . . . . 50.0 107.317 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.0 67.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -175.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -63.94 -43.6 95.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 118.179 0.445 . . . . 50.0 110.007 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -86.1 -33.51 20.91 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.255 0.835 . . . . 50.0 113.255 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -37.96 85.54 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.231 -0.293 . . . . 50.0 110.293 -175.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -57.79 -35.56 70.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.82 0.304 . . . . 50.0 111.82 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -69.34 -39.64 78.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.155 0.503 . . . . 50.0 109.948 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -71.39 -44.15 65.51 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.941 0.719 . . . . 50.0 112.941 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.2 pt -69.32 -18.85 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 111.941 0.349 . . . . 50.0 111.941 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -68.18 -18.93 64.73 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 121.351 -0.14 . . . . 50.0 111.0 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.98 -52.11 5.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.936 -0.765 . . . . 50.0 108.936 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -158.66 150.28 20.98 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.222 -0.659 . . . . 50.0 109.222 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -167.03 95.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.328 0.251 . . . . 50.0 111.6 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -158.92 31.44 0.21 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -117.86 97.26 50.6 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 113.451 0.908 . . . . 50.0 113.451 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -87.12 164.64 8.54 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 120.379 0.72 . . . . 50.0 111.976 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -145.24 4.86 1.08 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.565 1.174 . . . . 50.0 112.723 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -123.97 56.82 1.22 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 113.735 -1.575 . . . . 50.0 110.935 -163.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.1 mt -59.71 -26.77 65.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.994 0.738 . . . . 50.0 112.994 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.83 -26.64 44.22 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.624 -0.262 . . . . 50.0 111.197 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 29.75 56.1 0.15 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.629 1.571 . . . . 25.0 114.495 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -59.3 143.14 50.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.251 -0.886 . . . . 50.0 112.905 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.22 165.18 28.15 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.161 -1.422 . . . . 25.0 107.161 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.35 166.89 24.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.329 -1.36 . . . . 50.0 107.329 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.1 mt -121.91 122.76 67.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 101.208 -3.627 . . . . 50.0 101.208 174.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -113.74 155.46 25.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.647 -0.872 . . . . 50.0 108.647 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -154.37 155.99 36.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -141.3 73.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.243 1.02 . . . . 50.0 110.182 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.7 pt -91.12 33.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.341 -0.845 . . . . 50.0 111.099 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.64 55.83 3.13 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.478 0.656 . . . . 50.0 111.502 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 127.062 2.145 . . . . 25.0 113.193 179.235 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.0 p . . . . . 0 N--CA 1.496 1.831 0 N-CA-C 114.731 1.382 . . . . 25.0 114.731 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 57.19 36.26 27.25 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.743 1.217 . . . . 25.0 109.971 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -75.21 141.87 43.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.14 -0.936 . . . . 25.0 110.792 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.0 m -118.34 160.92 20.8 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.137 0.575 . . . . 25.0 110.133 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -97.22 -31.98 12.16 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.021 1.119 . . . . 25.0 114.021 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 49.08 39.66 15.58 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.367 0.877 . . . . 25.0 113.367 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -115.98 144.19 32.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -78.46 171.16 17.29 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 118.118 -0.788 . . . . 50.0 112.103 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.55 30.18 5.22 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.698 -0.961 . . . . 25.0 110.698 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -74.44 31.79 0.09 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.949 1.833 . . . . 25.0 115.949 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.84 21.77 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 122.234 1.016 . . . . 50.0 109.12 173.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.5 p -66.77 141.19 57.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.344 1.068 . . . . 25.0 112.958 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.82 -7.94 53.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.477 -0.783 . . . . 25.0 110.673 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.61 -47.59 98.71 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 114.633 1.346 . . . . 25.0 114.633 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.9 -24.78 20.62 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 114.774 -3.018 . . . . 50.0 113.821 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -69.03 -31.91 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.998 -1.112 . . . . 50.0 107.998 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.03 -8.62 61.74 Favored Glycine 0 CA--C 1.521 0.451 0 CA-C-N 115.329 -0.85 . . . . 25.0 114.311 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -76.71 -35.23 57.97 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 118.113 0.957 . . . . 50.0 108.999 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -78.76 -32.68 46.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.655 1.217 . . . . 25.0 107.957 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -117.47 82.55 15.52 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 114.955 -1.021 . . . . 50.0 112.733 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -62.09 -25.99 77.83 Favored 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-O 121.111 0.379 . . . . 50.0 112.007 175.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.02 99.74 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.007 -0.433 . . . . 25.0 110.547 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.32 -34.46 48.59 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.459 -0.337 . . . . 75.0 111.244 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.23 -40.18 93.7 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.678 -0.49 . . . . 50.0 109.678 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.53 -41.86 90.97 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.94 -0.763 . . . . 50.0 108.94 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -66.56 -46.26 76.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 50.0 111.069 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.1 ttp -62.56 -41.17 98.74 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.339 -0.391 . . . . 50.0 110.739 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.1 -42.37 94.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.697 0.284 . . . . 50.0 111.452 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.85 -36.42 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 50.0 110.439 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.98 60.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.396 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -114.14 99.1 50.06 Favored Pre-proline 0 C--O 1.238 0.452 0 N-CA-C 112.478 0.548 . . . . 50.0 112.478 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.92 -26.47 59.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 N-CA-C 115.583 1.34 . . . . 50.0 115.583 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -77.02 -40.65 45.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.863 0.839 . . . . 25.0 110.946 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.82 -34.06 69.02 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.701 0.763 . . . . 50.0 109.271 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 -30.77 61.63 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.593 -0.692 . . . . 50.0 111.221 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.1 p -75.78 -39.5 56.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.154 -0.341 . . . . 25.0 111.783 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.96 -31.57 72.23 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 108.923 -0.769 . . . . 50.0 108.923 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -66.43 -43.23 86.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.913 -0.585 . . . . 50.0 112.409 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.95 -26.79 65.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.236 -0.586 . . . . 50.0 111.668 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.52 -52.97 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.175 0.512 . . . . 50.0 111.584 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -90.28 -24.65 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.775 1.768 . . . . 50.0 115.775 -170.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.89 67.21 41.68 Favored Pre-proline 0 C--O 1.241 0.618 0 N-CA-C 112.794 0.664 . . . . 50.0 112.794 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -56.31 -33.65 91.92 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 N-CA-C 118.362 2.409 . . . . 50.0 118.362 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -68.4 -29.44 31.38 Favored 'Trans proline' 0 C--N 1.363 1.321 1 C-N-CA 112.049 -4.834 . . . . 50.0 115.203 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -76.98 -36.0 56.77 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.963 -1.086 . . . . 50.0 108.545 175.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.32 73.93 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 120.097 -0.641 . . . . 25.0 112.231 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.68 -30.77 67.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.732 0.696 . . . . 50.0 111.199 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -65.39 -39.79 92.66 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.655 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.21 -45.94 65.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.838 -0.619 . . . . 50.0 110.168 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.96 -30.45 71.53 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 121.907 0.86 . . . . 50.0 110.266 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 t -73.53 -18.95 61.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.024 -0.989 . . . . 50.0 112.327 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.33 -20.72 15.83 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 113.993 0.357 . . . . 25.0 113.993 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -70.66 112.12 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.145 0.497 . . . . 50.0 111.701 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.75 -34.4 77.13 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.174 -0.676 . . . . 50.0 109.174 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.35 -52.02 66.13 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.557 0.694 . . . . 50.0 110.178 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 15.0 ptmt -69.88 -34.88 74.15 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.817 -0.753 . . . . 50.0 110.666 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.0 t80 -61.87 -50.62 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.164 0.438 . . . . 50.0 111.196 178.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -61.67 -42.6 99.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.797 0.439 . . . . 50.0 111.577 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.66 -49.05 79.08 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.661 -0.649 . . . . 50.0 110.045 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.19 -32.2 54.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.97 -0.752 . . . . 50.0 108.97 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 tp -57.93 -43.69 86.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.727 -0.389 . . . . 50.0 111.208 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.82 -42.32 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.993 0.425 . . . . 50.0 110.393 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.97 -39.58 90.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.604 0.716 . . . . 50.0 109.269 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -72.65 -35.05 67.65 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.282 -0.417 . . . . 50.0 110.856 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -64.21 -35.66 81.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.407 0.549 . . . . 50.0 109.923 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -62.88 -41.11 99.29 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.923 -0.311 . . . . 50.0 110.641 177.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -69.97 -38.97 76.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.704 0.764 . . . . 50.0 110.704 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -61.43 -36.27 79.89 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 118.573 -0.727 . . . . 50.0 110.519 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.74 70.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.145 0.498 . . . . 25.0 111.725 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -69.01 -37.93 78.96 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.856 0.836 . . . . 50.0 109.778 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -81.1 -27.33 35.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.232 -0.895 . . . . 50.0 110.773 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.3 -29.19 68.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.806 -1.088 . . . . 50.0 110.732 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -56.82 -33.77 67.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.993 0.425 . . . . 50.0 111.545 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -75.24 -34.28 61.4 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.841 -0.537 . . . . 50.0 111.615 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -71.03 -41.0 71.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.174 0.435 . . . . 50.0 112.174 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.0 pt -68.52 -14.84 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 120.699 0.285 . . . . 50.0 111.434 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -58.69 -37.67 76.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.138 -0.69 . . . . 50.0 109.138 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.411 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 14.7 tp 54.41 -176.54 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.299 1.44 . . . . 50.0 113.674 176.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.411 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 20.0 m-85 61.64 -19.65 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 117.821 2.526 . . . . 50.0 117.821 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.6 m -152.62 27.61 0.56 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.937 -1.134 . . . . 50.0 107.937 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.15 18.99 2.27 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 -177.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.72 153.72 95.55 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 113.059 -1.882 . . . . 50.0 110.942 -170.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -72.48 161.56 43.87 Favored 'Trans proline' 0 C--N 1.347 0.482 0 N-CA-C 114.569 0.95 . . . . 50.0 114.569 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -113.16 20.75 15.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.942 -1.026 . . . . 50.0 108.496 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -84.39 58.88 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.344 1.069 . . . . 50.0 108.637 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.64 -23.39 63.48 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.686 -1.143 . . . . 50.0 112.08 -174.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -72.83 -25.2 61.04 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.914 -0.585 . . . . 50.0 110.195 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.31 30.56 0.87 Allowed 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 123.37 0.668 . . . . 25.0 112.397 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -111.08 156.48 21.26 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.672 0.619 . . . . 50.0 112.672 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.11 174.78 0.25 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.509 1.523 . . . . 25.0 114.924 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.0 tttt 66.95 156.52 0.11 Allowed 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 113.521 -1.672 . . . . 50.0 112.752 -174.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.9 mt -138.6 132.69 41.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 102.593 -3.114 . . . . 50.0 102.593 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -88.38 162.59 16.45 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.539 -0.541 . . . . 50.0 109.539 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -98.22 127.86 44.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.4 0.619 . . . . 25.0 110.187 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -118.27 85.23 2.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.276 1.036 . . . . 50.0 109.068 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.2 pt -95.59 19.12 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.041 -0.981 . . . . 50.0 110.651 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -80.66 51.83 1.57 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.508 1.147 . . . . 50.0 112.388 -174.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 . . . . . 0 C--O 1.211 -0.927 0 CA-C-O 123.342 1.544 . . . . 25.0 111.715 175.857 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.49 ' H1 ' ' HG ' ' A' ' 1' ' ' SER . 3.0 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -152.19 44.34 0.72 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 60.41 -150.99 0.41 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m 59.22 23.5 11.85 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -75.73 135.23 40.35 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -152.74 167.12 30.06 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.1 p -95.03 152.46 39.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.45 169.72 21.8 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 118.079 -0.814 . . . . 50.0 112.852 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.74 -35.55 6.8 Favored Glycine 0 C--O 1.22 -0.743 0 CA-C-N 115.418 -0.81 . . . . 25.0 113.879 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 43.07 44.42 4.18 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.634 1.207 . . . . 25.0 111.479 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.69 -4.59 8.92 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-O 123.621 1.676 . . . . 50.0 110.933 -170.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.3 p -126.49 158.96 34.74 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 112.558 -2.11 . . . . 25.0 108.134 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 m -80.21 -1.59 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.6 m -150.78 63.54 5.89 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.74 -23.13 26.69 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 117.814 -0.99 . . . . 50.0 113.13 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -76.73 28.15 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.207 0.817 . . . . 50.0 113.207 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.81 27.54 66.84 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 115.281 0.872 . . . . 25.0 115.281 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.41 -33.76 71.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.575 0.687 . . . . 50.0 109.728 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.62 -23.29 39.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.226 1.012 . . . . 25.0 109.496 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -122.51 78.04 46.2 Favored Pre-proline 0 C--O 1.237 0.399 0 N-CA-C 113.839 1.052 . . . . 50.0 113.839 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -59.0 -30.27 92.92 Favored 'Trans proline' 0 C--O 1.215 -0.63 0 N-CA-C 113.383 0.493 . . . . 50.0 113.383 175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.82 89.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.198 -0.314 . . . . 25.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -38.94 66.43 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.857 -0.423 . . . . 50.0 109.857 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.56 -42.56 95.59 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.896 -0.322 . . . . 50.0 110.333 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -58.26 -44.99 88.61 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.764 -0.458 . . . . 50.0 109.764 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.7 -45.23 93.71 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.005 0.431 . . . . 50.0 111.155 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.1 ttp -64.24 -41.66 96.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.538 -0.301 . . . . 50.0 111.181 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.1 -40.68 90.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.763 0.316 . . . . 50.0 111.602 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.73 -36.23 82.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 50.0 109.872 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.79 -17.13 51.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -105.96 101.91 36.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 112.592 0.59 . . . . 50.0 112.592 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.96 -26.9 43.38 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 N-CA-C 115.409 1.273 . . . . 50.0 115.409 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -76.14 -43.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.612 -0.68 . . . . 25.0 110.932 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.55 -39.84 70.41 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.152 -0.684 . . . . 50.0 109.152 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -30.27 71.34 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.745 -0.597 . . . . 75.0 110.931 177.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -74.75 -41.05 60.83 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.084 0.554 . . . . 25.0 111.885 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.02 -33.79 75.27 Favored 'General case' 0 CA--C 1.479 -1.782 0 N-CA-C 108.374 -0.973 . . . . 50.0 108.374 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.48 -46.21 87.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.314 -0.857 . . . . 50.0 111.954 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.47 -27.23 65.96 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 120.026 -0.67 . . . . 50.0 112.407 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -76.39 -47.58 22.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.621 0.6 . . . . 50.0 112.621 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.72 -33.46 16.58 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.749 1.388 . . . . 50.0 114.749 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -133.87 69.84 75.19 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 113.463 0.912 . . . . 50.0 113.463 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.72 -37.03 91.77 Favored 'Trans proline' 0 CA--C 1.551 1.371 0 N-CA-C 118.533 2.474 . . . . 50.0 118.533 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.63 -29.64 24.18 Favored 'Trans proline' 0 C--N 1.361 1.222 1 C-N-CA 112.511 -4.526 . . . . 50.0 116.096 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.43 -33.46 60.91 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.707 -1.245 . . . . 50.0 107.943 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.09 -49.45 72.2 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 118.817 -0.611 . . . . 25.0 112.477 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.68 -32.51 70.56 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.812 0.733 . . . . 50.0 110.698 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.455 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.5 -45.25 93.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.886 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.43 -42.1 92.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.745 . . . . 75.0 110.081 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.3 mt -63.17 -29.92 71.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.267 0.556 . . . . 50.0 110.698 -174.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.8 m -74.47 -21.8 59.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.614 -0.721 . . . . 50.0 112.362 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.64 -17.2 31.66 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-O 121.144 0.302 . . . . 25.0 112.971 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -64.84 115.27 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 50.0 111.652 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.72 -36.46 82.52 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.851 -0.426 . . . . 50.0 109.851 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.68 -50.63 73.12 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.841 -0.537 . . . . 50.0 111.285 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.1 ptmt -67.71 -36.77 81.24 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.006 -0.739 . . . . 50.0 109.006 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.45 -50.75 66.3 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.384 0.513 . . . . 50.0 112.384 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -63.6 -39.65 94.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.197 0.523 . . . . 50.0 110.95 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -49.6 65.77 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.75 -0.463 . . . . 50.0 109.75 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.2 -29.45 45.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.524 -0.917 . . . . 50.0 108.524 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 tp -58.11 -43.9 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 122.152 -0.342 . . . . 75.0 110.382 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.35 -42.76 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.909 -0.404 . . . . 50.0 109.909 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.98 -43.08 86.3 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.714 0.769 . . . . 50.0 109.331 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -69.5 -38.24 77.53 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.827 -0.624 . . . . 50.0 111.58 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -64.74 -36.45 84.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.566 0.621 . . . . 50.0 110.797 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -62.79 -38.14 89.49 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.684 -0.406 . . . . 50.0 110.641 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -78.21 -40.05 38.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.399 0.619 . . . . 50.0 111.015 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -59.36 -45.79 90.44 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 116.008 -0.542 . . . . 50.0 110.154 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.77 -34.44 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -68.65 -46.85 68.07 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.059 0.457 . . . . 50.0 110.516 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -72.25 -29.42 63.89 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 122.015 0.912 . . . . 50.0 110.617 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -70.8 -26.66 63.42 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.519 -0.764 . . . . 50.0 112.08 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -53.83 -44.95 70.68 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 120.402 -0.519 . . . . 50.0 112.093 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.1 -31.23 61.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.828 -0.545 . . . . 50.0 110.848 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -64.95 -49.65 69.5 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 113.019 0.748 . . . . 50.0 113.019 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.2 pt -62.85 -18.69 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 113.692 0.997 . . . . 50.0 113.692 -173.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -75.27 -9.78 58.87 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.446 0.535 . . . . 50.0 112.446 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.3 tt -140.38 -46.6 0.42 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.621 0.971 . . . . 50.0 113.621 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -100.84 162.04 13.18 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 123.098 0.559 . . . . 50.0 111.994 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -97.25 -169.23 1.82 Allowed 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 106.069 -1.826 . . . . 50.0 106.069 172.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.54 42.07 0.97 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.667 -0.697 . . . . 25.0 109.795 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.02 114.81 4.07 Favored Pre-proline 0 C--O 1.238 0.493 0 N-CA-C 113.287 0.847 . . . . 50.0 113.287 -174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -76.33 163.28 32.65 Favored 'Trans proline' 0 C--N 1.347 0.474 0 N-CA-C 113.518 0.546 . . . . 50.0 113.518 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -107.63 17.39 22.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.625 0.726 . . . . 50.0 109.923 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -83.52 51.34 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.294 -0.866 . . . . 50.0 108.693 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.34 -37.51 83.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.695 -0.684 . . . . 50.0 109.915 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -80.84 -46.21 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.005 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 44.61 40.8 4.32 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.188 1.181 . . . . 25.0 114.188 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -87.9 152.01 22.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 50.0 110.889 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -146.97 156.24 42.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.726 -1.583 . . . . 25.0 106.726 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -85.26 155.54 21.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.099 0.476 . . . . 50.0 111.688 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.8 mt -128.85 108.85 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 105.977 -1.86 . . . . 50.0 105.977 172.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -140.39 167.81 21.28 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 106.687 -1.598 . . . . 50.0 106.687 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.77 126.1 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -175.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -126.92 93.95 3.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.092 -1.818 . . . . 50.0 106.092 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.1 pt -106.84 23.74 2.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.582 -1.19 . . . . 50.0 110.877 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -111.59 21.68 15.87 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.342 -0.39 . . . . 50.0 111.299 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.488 1.432 0 C-N-CA 126.266 1.827 . . . . 25.0 112.72 -178.707 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.398 0 CA-C-O 123.974 1.845 . . . . 25.0 114.129 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.06 157.59 43.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 106.313 -1.736 . . . . 25.0 106.313 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -105.81 -27.55 11.18 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m 49.2 36.87 9.91 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.726 1.38 . . . . 25.0 114.726 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -76.7 147.11 37.62 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.608 -0.515 . . . . 25.0 109.608 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -144.84 149.62 35.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.8 m -146.85 74.72 12.15 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.58 164.99 31.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 118.044 -0.838 . . . . 50.0 112.192 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.77 -20.05 0.89 Allowed Glycine 0 C--O 1.226 -0.369 0 CA-C-N 115.285 -0.87 . . . . 25.0 114.028 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -82.14 28.49 0.44 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.57 10.65 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 124.022 0.929 . . . . 50.0 112.293 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 p -78.75 84.17 4.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.941 0.876 . . . . 25.0 111.106 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -162.28 -162.46 0.82 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 105.082 -2.192 . . . . 25.0 105.082 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.8 p -112.9 62.47 0.73 Allowed Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 111.762 0.282 . . . . 25.0 111.762 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -69.71 -16.22 37.68 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 116.283 -2.012 . . . . 50.0 113.249 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -76.96 15.65 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.335 0.865 . . . . 50.0 113.335 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.77 28.61 73.48 Favored Glycine 0 N--CA 1.458 0.125 0 N-CA-C 115.529 0.972 . . . . 25.0 115.529 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.08 -30.91 69.33 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.344 1.069 . . . . 50.0 109.208 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -85.55 -27.07 25.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 113.495 -1.684 . . . . 25.0 111.718 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.09 78.97 66.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.066 0.46 . . . . 75.0 111.811 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -60.37 -28.58 87.05 Favored 'Trans proline' 0 C--O 1.216 -0.61 0 N-CA-C 113.377 0.491 . . . . 50.0 113.377 176.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.01 95.47 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.955 -0.298 . . . . 25.0 110.581 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -77.83 -34.48 51.92 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.192 -0.458 . . . . 50.0 110.673 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -66.1 -41.33 90.77 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.419 -0.513 . . . . 50.0 110.242 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -59.17 -42.86 91.78 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.262 -1.014 . . . . 50.0 108.262 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -45.53 86.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.951 -0.568 . . . . 50.0 111.79 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.89 -48.25 82.47 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.033 0.444 . . . . 50.0 110.292 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 37.5 mt -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.9 -0.591 . . . . 50.0 111.55 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.26 -34.71 78.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.808 0.337 . . . . 50.0 110.518 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.01 -8.19 59.59 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -119.38 99.29 50.27 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 112.348 0.499 . . . . 50.0 112.348 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.28 -24.71 57.77 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 N-CA-C 115.345 1.248 . . . . 50.0 115.345 -176.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -76.49 -42.65 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.618 0.723 . . . . 25.0 110.788 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -72.14 -37.94 69.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 50.0 109.466 -174.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -29.33 68.7 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.969 -0.457 . . . . 50.0 110.221 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -73.29 -45.93 52.68 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.678 0.391 . . . . 25.0 111.089 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -63.8 -29.92 71.07 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.087 -1.008 . . . . 50.0 110.318 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.67 -43.43 80.22 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 114.59 -1.186 . . . . 50.0 112.619 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -70.37 -28.22 64.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 119.677 -0.809 . . . . 50.0 111.217 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -72.87 -52.03 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.032 0.444 . . . . 50.0 111.116 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -90.39 -25.97 20.13 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.159 1.911 . . . . 50.0 116.159 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -136.87 68.72 58.24 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 113.411 0.893 . . . . 50.0 113.411 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.29 -35.37 91.22 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.604 2.502 . . . . 50.0 118.604 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.86 -28.86 29.27 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.411 -4.593 . . . . 50.0 115.681 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -75.68 -34.4 60.43 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.205 . . . . 50.0 108.174 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.9 78.55 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 112.917 0.71 . . . . 25.0 112.917 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.8 -31.39 69.65 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.952 0.797 . . . . 50.0 111.045 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.48 -38.7 91.93 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.616 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.1 tp -68.17 -42.51 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 50.0 110.172 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.82 -27.97 69.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 50.0 111.154 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 m -75.22 -20.44 59.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.727 -0.669 . . . . 50.0 112.21 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.5 -29.34 4.47 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-O 121.192 0.329 . . . . 25.0 112.601 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -55.21 102.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.729 1.212 . . . . 50.0 112.103 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.28 -35.35 77.08 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.591 -1.263 . . . . 50.0 107.591 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.2 -44.98 88.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.361 0.504 . . . . 50.0 112.361 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -76.74 -31.91 57.43 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 119.05 0.841 . . . . 50.0 110.299 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -60.31 -51.72 68.33 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.606 -0.438 . . . . 50.0 110.301 176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -63.3 -38.97 93.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.867 0.365 . . . . 50.0 111.556 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -61.01 -49.03 79.07 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 110.368 -0.234 . . . . 50.0 110.368 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.92 -34.31 63.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 121.488 -0.757 . . . . 50.0 108.968 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 tp -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.086 -0.384 . . . . 50.0 111.186 178.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -74.4 -35.05 38.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 C-N-CA 120.436 -0.506 . . . . 50.0 111.199 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.37 -42.1 98.16 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.54 -0.725 . . . . 50.0 109.896 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -64.28 -40.43 95.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.916 -0.402 . . . . 50.0 109.916 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -65.92 -36.89 84.61 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.519 -0.472 . . . . 50.0 111.391 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -63.59 -43.05 98.08 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.118 -0.364 . . . . 50.0 110.571 177.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.2 -40.0 86.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.314 0.578 . . . . 50.0 110.402 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -61.16 -40.43 93.83 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.932 -0.48 . . . . 50.0 110.136 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.99 -31.95 72.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.089 0.471 . . . . 25.0 111.499 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -29.93 64.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.305 -0.872 . . . . 50.0 109.74 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -75.09 -35.62 61.77 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.429 -0.582 . . . . 50.0 109.429 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -61.4 -30.56 70.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.892 -0.595 . . . . 50.0 111.978 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -57.79 -37.4 73.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.247 -0.283 . . . . 50.0 111.4 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -75.21 -28.9 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.177 0.513 . . . . 50.0 110.957 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -68.82 -44.07 74.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.41 -0.806 . . . . 50.0 111.97 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.6 pt -71.97 -15.66 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 121.155 0.502 . . . . 50.0 111.338 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -65.27 -16.2 63.31 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.128 0.571 . . . . 50.0 112.265 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.7 tp 65.94 -52.76 0.39 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.212 1.805 . . . . 50.0 115.514 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -77.14 131.57 38.38 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.696 -1.224 . . . . 50.0 107.696 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.4 m 58.55 27.89 16.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.612 0.967 . . . . 50.0 113.612 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.19 52.42 2.19 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.319 0.581 . . . . 25.0 110.476 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.31 136.7 95.76 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.322 -0.399 . . . . 50.0 109.989 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -77.84 159.43 31.17 Favored 'Trans proline' 0 C--N 1.347 0.467 0 N-CA-C 115.443 1.286 . . . . 50.0 115.443 -172.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -128.39 11.81 6.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.903 -1.044 . . . . 50.0 108.719 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -147.77 113.05 5.56 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.758 -2.312 . . . . 50.0 104.758 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -34.16 61.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.242 0.83 . . . . 50.0 113.242 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -86.0 -41.44 14.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.809 -0.356 . . . . 50.0 110.883 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 55.19 26.39 8.34 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.102 0.961 . . . . 25.0 113.456 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -133.64 150.2 51.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.614 -0.513 . . . . 50.0 109.614 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.08 129.26 9.67 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -137.56 155.29 49.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.303 -1.369 . . . . 50.0 107.303 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.2 mt -139.74 127.28 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 103.682 -2.711 . . . . 50.0 103.682 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -140.74 161.89 36.72 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.108 -1.071 . . . . 50.0 108.108 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -130.86 158.25 40.7 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -120.42 83.85 2.13 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.993 -0.743 . . . . 50.0 108.993 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.5 pt -80.76 1.33 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 122.126 0.965 . . . . 50.0 111.698 174.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 49.22 27.15 1.73 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 113.361 -1.745 . . . . 50.0 112.181 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 126.536 3.065 . . . . 25.0 109.999 -177.239 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.53 3.57 0 CA-C-O 122.632 1.206 . . . . 25.0 112.67 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -143.35 146.3 33.41 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -168.05 -56.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.534 0.521 . . . . 25.0 111.413 177.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 t 64.0 176.66 0.17 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.081 0.953 . . . . 25.0 110.967 -173.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -162.04 146.75 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.661 -1.237 . . . . 25.0 107.661 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -83.01 132.73 35.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.747 -1.575 . . . . 25.0 106.747 174.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.1 t -147.83 137.28 12.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 117.961 0.346 . . . . 25.0 111.479 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.16 174.33 11.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 117.318 -1.321 . . . . 50.0 109.787 171.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.23 -25.71 0.07 OUTLIER Glycine 0 C--O 1.221 -0.691 0 C-N-CA 120.041 -1.076 . . . . 25.0 114.566 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' THR . 0.7 OUTLIER 59.66 22.03 10.75 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.233 1.198 . . . . 25.0 114.233 -179.708 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.34 17.93 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 114.432 -1.258 . . . . 50.0 110.51 173.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' GLU . 37.3 p -68.7 -18.14 64.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.927 -1.033 . . . . 25.0 110.209 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -92.15 108.05 19.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 25.0 110.145 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 m -115.55 70.38 3.22 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.851 -0.613 . . . . 25.0 112.308 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.02 -23.06 40.77 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 116.775 -1.684 . . . . 50.0 113.969 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -59.99 -32.48 70.88 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.454 -0.339 . . . . 50.0 110.942 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.91 -27.23 26.92 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.257 -0.973 . . . . 25.0 113.119 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.76 -42.42 41.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.253 0.549 . . . . 50.0 111.413 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -87.7 -30.15 20.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.011 -0.995 . . . . 25.0 110.555 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -117.49 86.43 22.71 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.302 -0.863 . . . . 50.0 109.859 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HB3' HD23 ' A' ' 61' ' ' LEU . 36.6 Cg_endo -60.62 -22.71 73.59 Favored 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 112.471 0.143 . . . . 50.0 112.471 177.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.47 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.245 -0.279 . . . . 25.0 110.245 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.17 -41.05 67.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 50.0 110.661 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.8 tp -65.97 -40.26 91.1 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.362 -0.535 . . . . 50.0 110.669 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.94 -44.04 91.33 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.974 -0.75 . . . . 50.0 108.974 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.71 -45.59 82.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.004 0.43 . . . . 50.0 111.39 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.9 ttp -62.11 -40.7 96.77 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 121.0 0.428 . . . . 50.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.8 -43.66 95.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.204 -0.453 . . . . 50.0 111.951 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -64.45 -35.92 82.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 50.0 109.875 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.54 -14.57 59.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -110.28 99.02 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.936 0.398 . . . . 50.0 112.023 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.9 -23.97 54.13 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 115.086 1.149 . . . . 50.0 115.086 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -76.93 -44.42 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.266 0.555 . . . . 25.0 111.183 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.64 -41.41 72.19 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.973 -0.751 . . . . 50.0 108.973 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -28.75 70.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.236 -0.438 . . . . 50.0 110.631 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -75.15 -44.04 49.05 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.984 0.514 . . . . 25.0 111.016 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.8 -30.04 68.52 Favored 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 121.843 0.83 . . . . 50.0 109.185 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.4 tp -65.17 -45.26 85.63 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.703 -1.135 . . . . 50.0 111.543 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.1 -26.07 63.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 119.854 -0.738 . . . . 50.0 112.072 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.79 -52.14 12.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.208 0.528 . . . . 50.0 111.252 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -95.04 -21.35 18.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.179 1.918 . . . . 50.0 116.179 -171.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -135.88 65.6 59.92 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -55.75 -34.82 92.13 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 118.528 2.472 . . . . 50.0 118.528 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.04 -31.75 29.64 Favored 'Trans proline' 0 C--N 1.362 1.28 1 C-N-CA 112.722 -4.385 . . . . 50.0 115.467 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -76.0 -34.7 59.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 120.876 -1.14 . . . . 50.0 108.53 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.51 77.16 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.56 -31.42 70.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.749 0.704 . . . . 50.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.434 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.96 -40.05 94.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.48 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.12 -41.84 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.252 -0.431 . . . . 50.0 110.408 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.19 -28.18 69.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.096 0.474 . . . . 50.0 111.044 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -75.93 -19.69 58.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 50.0 112.445 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.38 -30.92 3.93 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 122.183 -0.323 . . . . 25.0 113.413 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -55.81 104.6 0.14 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.432 1.093 . . . . 50.0 112.54 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.43 -33.32 73.52 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 107.697 -1.223 . . . . 50.0 107.697 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.48 -52.51 61.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.081 0.467 . . . . 50.0 111.587 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.78 -34.02 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.401 -0.52 . . . . 50.0 110.626 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.69 -50.5 73.6 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.771 -0.372 . . . . 50.0 110.397 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.2 t -62.27 -44.83 95.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.235 0.457 . . . . 50.0 112.235 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.9 -46.06 88.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.07 -0.394 . . . . 50.0 110.699 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.6 t -72.11 -32.48 43.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 50.0 108.948 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.413 HD23 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -57.99 -45.03 87.43 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 122.229 -0.294 . . . . 75.0 110.343 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.01 -42.92 89.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 50.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -62.67 -39.51 94.14 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.697 -0.627 . . . . 50.0 110.82 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -67.28 -39.68 86.06 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 122.132 -0.355 . . . . 50.0 110.349 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -60.69 -40.83 93.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.327 0.512 . . . . 50.0 110.486 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -61.28 -43.95 98.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.24 -0.184 . . . . 50.0 110.64 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -74.44 -40.31 62.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.512 0.672 . . . . 50.0 111.722 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -64.29 -36.53 84.4 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 116.225 -0.443 . . . . 50.0 110.592 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -30.96 63.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.949 0.34 . . . . 25.0 111.685 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -65.8 -48.32 72.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.948 0.404 . . . . 50.0 110.849 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -81.17 -26.88 35.67 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.454 0.538 . . . . 50.0 112.454 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.04 -29.59 70.5 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 116.369 -0.378 . . . . 50.0 111.188 -172.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -53.08 -42.99 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.334 0.396 . . . . 50.0 111.823 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -74.91 -32.81 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.402 0.62 . . . . 50.0 110.785 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -71.27 -42.14 69.14 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.934 0.716 . . . . 50.0 112.934 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.8 pt -78.76 -14.59 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.811 0.339 . . . . 50.0 111.379 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -38.26 68.57 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.472 -0.331 . . . . 50.0 111.263 -177.144 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.76 155.84 30.54 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.937 -1.134 . . . . 50.0 107.937 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 54.74 -145.96 0.59 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.804 0.842 . . . . 50.0 111.346 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.6 m 57.29 24.44 9.96 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.787 1.032 . . . . 50.0 113.787 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.22 37.33 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.51 -0.768 . . . . 25.0 110.233 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -117.84 92.51 41.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -86.24 154.43 9.5 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.668 -1.088 . . . . 50.0 113.063 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -123.82 4.19 8.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.851 1.31 . . . . 50.0 108.125 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.59 43.42 1.11 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 113.517 -1.674 . . . . 50.0 108.94 -176.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.92 -24.7 66.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.223 -0.899 . . . . 50.0 110.882 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.8 -18.8 46.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.993 -1.003 . . . . 50.0 112.791 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.77 38.57 0.26 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 -171.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.45 127.04 29.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.53 0.681 . . . . 50.0 109.902 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.45 138.93 49.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.293 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -152.61 156.48 39.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 107.468 -1.308 . . . . 50.0 107.468 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.4 mt -132.27 115.6 26.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 102.681 -3.081 . . . . 50.0 102.681 171.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -125.09 146.48 49.44 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.281 -1.378 . . . . 50.0 107.281 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.64 150.6 34.71 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -175.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -151.73 48.58 0.8 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.469 -1.308 . . . . 50.0 107.469 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 pt 41.39 36.62 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.639 1.576 . . . . 50.0 114.155 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -89.23 52.61 2.42 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 122.743 1.258 . . . . 50.0 110.141 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 . . . . . 0 C--O 1.21 -1.008 0 CA-C-O 125.141 2.4 . . . . 25.0 111.647 179.033 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 123.87 1.795 . . . . 25.0 113.907 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -99.12 134.85 41.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 113.835 -1.53 . . . . 25.0 110.927 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -134.05 167.01 21.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.461 -2.422 . . . . 25.0 104.461 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -35.26 73.03 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.183 1.179 . . . . 25.0 114.183 -176.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 45.96 38.67 4.79 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -81.56 157.9 24.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 25.0 109.99 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.7 m -140.96 134.6 14.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.538 -0.542 . . . . 25.0 109.538 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -78.84 168.86 20.34 Favored 'Trans proline' 0 C--N 1.349 0.594 0 CA-C-O 121.222 0.426 . . . . 75.0 112.678 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.45 16.98 4.54 Favored Glycine 0 C--O 1.218 -0.895 0 CA-C-O 122.001 0.779 . . . . 25.0 112.385 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -106.16 29.39 6.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.188 0.995 . . . . 25.0 108.841 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.26 15.7 mm -87.51 6.63 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 CA-C-O 123.408 1.575 . . . . 50.0 109.241 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.9 p -77.75 86.06 4.03 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.187 -1.369 . . . . 25.0 112.493 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.1 t -159.77 163.73 34.38 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 m -117.35 56.33 1.88 Allowed Pre-proline 0 N--CA 1.469 0.503 0 N-CA-C 113.587 0.958 . . . . 25.0 113.587 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.71 -37.9 3.57 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 114.856 -2.962 . . . . 50.0 116.013 -173.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -81.46 36.79 0.44 Allowed 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 113.669 0.989 . . . . 50.0 113.669 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.69 29.37 69.83 Favored Glycine 0 C--O 1.225 -0.436 0 N-CA-C 115.54 0.976 . . . . 25.0 115.54 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.32 -26.72 65.76 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.184 0.992 . . . . 50.0 111.657 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -96.83 -2.69 43.56 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.899 0.857 . . . . 25.0 109.362 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.07 74.54 79.55 Favored Pre-proline 0 N--CA 1.444 -0.764 0 CA-C-N 115.817 -0.629 . . . . 50.0 111.694 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -58.48 -31.1 93.53 Favored 'Trans proline' 0 C--O 1.213 -0.754 0 O-C-N 121.851 0.395 . . . . 50.0 112.626 177.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.49 89.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.486 0.184 . . . . 25.0 110.938 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.46 -40.09 67.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.861 0.362 . . . . 50.0 110.647 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.28 -40.35 90.01 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.814 -0.355 . . . . 50.0 110.882 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.14 -44.47 92.06 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.842 -1.17 . . . . 50.0 107.842 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -43.88 92.79 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.554 -0.748 . . . . 50.0 111.919 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.5 ttp -62.59 -43.83 97.84 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.75 0.31 . . . . 50.0 110.963 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.64 -42.3 98.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.778 0.323 . . . . 50.0 111.725 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.44 -35.76 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.061 0.458 . . . . 50.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -11.78 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.52 102.11 54.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 O-C-N 121.888 -0.507 . . . . 50.0 112.24 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -65.92 -25.67 52.2 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 115.245 1.21 . . . . 50.0 115.245 -176.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -76.09 -41.71 49.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.68 -0.638 . . . . 25.0 110.333 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.96 67.61 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.812 -0.811 . . . . 50.0 108.812 -174.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -30.33 71.52 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.42 -0.8 . . . . 50.0 111.045 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -74.73 -41.39 60.23 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 122.812 0.445 . . . . 25.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.77 -33.84 76.52 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 108.126 -1.065 . . . . 50.0 108.126 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.94 -43.9 91.23 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.523 -0.762 . . . . 50.0 112.894 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.43 -28.37 67.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.891 -0.724 . . . . 50.0 111.639 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -77.04 -51.88 10.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.201 0.524 . . . . 50.0 112.021 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.69 -34.32 46.23 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.187 1.18 . . . . 50.0 114.187 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -139.88 70.46 36.16 Favored Pre-proline 0 N--CA 1.474 0.734 0 N-CA-C 114.448 1.277 . . . . 50.0 114.448 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.41 -37.03 89.29 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 N-CA-C 118.451 2.443 . . . . 50.0 118.451 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.24 -28.37 23.01 Favored 'Trans proline' 0 C--N 1.36 1.152 1 C-N-CA 112.588 -4.474 . . . . 50.0 116.081 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.42 -32.4 60.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.633 -1.292 . . . . 50.0 107.838 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 -49.45 70.36 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-O 118.849 -0.596 . . . . 25.0 112.456 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.2 -31.92 70.61 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.14 0.882 . . . . 50.0 110.936 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.49 -44.69 93.62 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.859 -0.609 . . . . 25.0 111.515 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.26 -42.57 93.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.424 -0.807 . . . . 50.0 110.381 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.9 mt -62.33 -30.7 71.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.489 0.662 . . . . 50.0 110.716 -174.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.8 m -75.46 -22.58 57.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.389 -0.823 . . . . 50.0 112.528 -178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.15 -17.27 38.52 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 116.71 -0.223 . . . . 25.0 113.542 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.03 116.94 6.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.861 0.362 . . . . 50.0 111.201 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.25 -36.73 82.22 Favored 'General case' 0 C--O 1.21 -0.981 0 C-N-CA 120.415 -0.514 . . . . 50.0 109.808 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.7 -53.09 62.32 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.882 -0.511 . . . . 50.0 111.137 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.0 ptmt -63.88 -37.74 88.5 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.624 -0.703 . . . . 50.0 109.296 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -64.8 -50.49 66.56 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 112.223 0.453 . . . . 50.0 112.223 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.8 t -62.08 -39.87 93.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.422 0.629 . . . . 50.0 111.509 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.4 -47.2 74.05 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.101 -0.5 . . . . 50.0 109.758 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.84 -30.6 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.644 -0.872 . . . . 50.0 108.644 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 tp -58.25 -47.87 82.18 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.102 -0.374 . . . . 75.0 111.824 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.06 -35.29 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.134 -0.626 . . . . 50.0 110.673 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.14 -40.9 98.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.679 0.752 . . . . 50.0 109.169 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -68.24 -36.99 80.33 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.816 -0.629 . . . . 50.0 111.606 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -65.8 -39.84 91.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.531 0.605 . . . . 50.0 110.742 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -62.5 -43.29 99.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.059 0.457 . . . . 50.0 109.972 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.31 -40.44 74.2 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.294 -0.562 . . . . 50.0 110.98 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -58.83 -37.9 77.47 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 122.007 -0.433 . . . . 50.0 110.971 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.33 -32.13 70.95 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.723 0.297 . . . . 25.0 111.667 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -76.72 -29.75 56.36 Favored 'General case' 0 N--CA 1.44 -0.963 0 O-C-N 121.65 -0.656 . . . . 50.0 109.442 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.9 -29.96 58.61 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.121 0.486 . . . . 50.0 109.741 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -57.37 -34.11 68.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.328 -0.851 . . . . 50.0 110.298 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -59.69 -39.96 86.3 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 121.213 0.53 . . . . 50.0 111.017 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -80.2 -31.17 38.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.117 0.784 . . . . 50.0 113.117 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -60.88 -23.53 65.26 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.621 0.971 . . . . 50.0 113.621 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.3 pt -59.89 -18.78 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 112.307 0.484 . . . . 50.0 112.307 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -68.66 -9.87 52.76 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.283 0.475 . . . . 50.0 112.283 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? 67.53 128.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.943 2.097 . . . . 50.0 115.187 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -141.95 148.17 38.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.054 -1.832 . . . . 50.0 106.054 -175.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.8 m -81.09 87.19 6.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.107 0.479 . . . . 50.0 110.563 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.55 36.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.254 -1.758 . . . . 25.0 106.254 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.93 140.65 97.9 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 114.104 -1.407 . . . . 50.0 113.688 -170.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -80.27 164.14 21.97 Favored 'Trans proline' 0 C--N 1.349 0.584 0 N-CA-C 113.375 0.491 . . . . 50.0 113.375 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -135.19 8.44 3.44 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.64 1.21 . . . . 50.0 109.083 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.31 40.84 0.79 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 113.748 -1.569 . . . . 50.0 112.789 -169.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.34 -27.99 68.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.181 0.515 . . . . 50.0 112.119 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -80.78 -10.99 59.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 114.04 1.126 . . . . 50.0 114.04 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.22 45.13 0.53 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.953 0.901 . . . . 25.0 112.356 -174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -96.85 125.24 41.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.431 -0.804 . . . . 50.0 111.787 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.81 169.0 13.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.625 -0.716 . . . . 25.0 110.849 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -127.38 154.05 45.48 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.522 -0.548 . . . . 50.0 109.522 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.9 mt -132.03 117.98 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 105.293 -2.114 . . . . 50.0 105.293 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -136.52 147.58 47.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.137 -1.431 . . . . 50.0 107.137 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -133.29 155.96 48.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.979 0.363 . . . . 25.0 111.979 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -139.34 55.53 1.68 Allowed 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.311 -0.996 . . . . 50.0 108.311 172.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.9 mt -84.35 58.67 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 107.152 -1.425 . . . . 50.0 107.152 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -83.9 42.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.46 1.124 . . . . 50.0 111.146 -177.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 125.707 2.67 . . . . 25.0 110.759 -179.193 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 114.92 1.452 . . . . 25.0 114.92 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -154.6 176.29 12.58 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -126.31 164.48 20.93 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.911 -1.514 . . . . 25.0 106.911 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 m -142.46 153.8 43.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 51.44 43.73 29.39 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 122.222 1.011 . . . . 25.0 111.283 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -134.84 166.94 21.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.439 -2.06 . . . . 25.0 105.439 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.1 p -141.06 155.4 68.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.445 -0.206 . . . . 25.0 110.445 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -75.15 173.28 14.79 Favored 'Trans proline' 0 C--N 1.348 0.522 0 O-C-N 122.067 0.509 . . . . 50.0 111.238 176.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.5 -63.82 0.24 Allowed Glycine 0 C--O 1.22 -0.746 0 N-CA-C 111.493 -0.643 . . . . 25.0 111.493 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 12' ' ' THR . 19.7 tt0 53.35 30.41 10.22 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.722 0.772 . . . . 25.0 111.883 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.56 5.86 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 C-N-CA 125.003 1.321 . . . . 50.0 114.439 -178.178 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.434 ' H ' ' C ' ' A' ' 10' ' ' GLU . 7.3 t -75.83 -21.08 57.65 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 173.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -89.94 130.93 36.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.877 -1.527 . . . . 25.0 106.877 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.2 p -144.17 60.65 8.19 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.387 -0.369 . . . . 25.0 111.957 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.24 -34.09 28.7 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 115.907 -2.262 . . . . 50.0 113.782 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -77.1 -14.44 59.81 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 121.875 -0.516 . . . . 50.0 109.867 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.64 -17.8 79.26 Favored Glycine 0 C--O 1.226 -0.385 0 N-CA-C 111.321 -0.711 . . . . 25.0 111.321 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.44 -35.84 68.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.457 -0.571 . . . . 50.0 109.457 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -83.44 -29.38 28.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.035 0.922 . . . . 25.0 109.714 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -113.87 81.29 5.8 Favored Pre-proline 0 C--O 1.241 0.631 0 CA-C-N 115.387 -0.824 . . . . 50.0 112.753 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -60.84 -31.08 91.32 Favored 'Trans proline' 0 C--O 1.216 -0.578 0 C-N-CA 118.614 -0.457 . . . . 50.0 112.187 174.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.95 99.31 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.265 -0.272 . . . . 25.0 111.578 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -77.67 -37.75 49.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.309 . . . . 50.0 110.271 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.3 tp -66.89 -41.12 87.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 75.0 110.161 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -54.48 -45.55 73.23 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.684 -0.488 . . . . 50.0 109.684 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.08 -42.66 84.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.024 0.44 . . . . 50.0 111.767 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.31 -49.01 79.29 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.512 0.672 . . . . 50.0 110.302 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.99 -42.1 97.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.137 -0.938 . . . . 50.0 112.065 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.76 -36.49 84.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.145 0.498 . . . . 50.0 110.394 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.38 -10.24 59.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.043 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -115.87 96.32 46.47 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.207 0.447 . . . . 50.0 112.207 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.35 -25.36 64.01 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 N-CA-C 115.218 1.199 . . . . 50.0 115.218 -176.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.06 -42.28 48.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.465 0.65 . . . . 25.0 110.673 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.75 -40.85 69.08 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.811 -0.811 . . . . 50.0 108.811 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -30.22 71.3 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.056 -0.402 . . . . 50.0 110.813 178.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 t -72.73 -44.03 62.19 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 122.53 0.332 . . . . 25.0 110.958 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.96 -30.11 70.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 122.035 0.922 . . . . 50.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -67.15 -43.02 83.36 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.897 -1.047 . . . . 50.0 112.219 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.09 -27.16 65.35 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 119.869 -0.733 . . . . 50.0 111.774 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -74.87 -51.85 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.993 0.425 . . . . 50.0 111.449 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -87.56 -26.46 23.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.487 1.662 . . . . 50.0 115.487 -174.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -139.16 67.32 39.84 Favored Pre-proline 0 N--CA 1.474 0.735 0 N-CA-C 113.24 0.83 . . . . 50.0 113.24 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.61 -35.85 87.7 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.366 2.41 . . . . 50.0 118.366 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -69.61 -30.0 23.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 112.105 -4.796 . . . . 50.0 115.842 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -75.46 -32.43 60.62 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.756 -1.215 . . . . 50.0 108.006 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.76 79.68 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.68 -31.45 70.7 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.277 0.944 . . . . 50.0 110.671 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.2 -44.16 97.73 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 115.54 -0.754 . . . . 25.0 111.091 174.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.41 -40.88 89.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.008 -0.542 . . . . 50.0 110.768 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.83 -28.82 70.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.233 0.54 . . . . 50.0 111.162 -175.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.1 m -76.45 -22.89 54.01 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.809 -0.632 . . . . 50.0 111.953 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -21.62 23.08 Favored Glycine 0 C--O 1.236 0.241 0 CA-C-N 116.526 -0.307 . . . . 25.0 112.757 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -62.8 116.98 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 122.761 0.424 . . . . 50.0 112.0 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.46 -37.39 82.87 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.306 -0.627 . . . . 50.0 109.306 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -51.16 70.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.577 -0.449 . . . . 50.0 109.934 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.8 ptmt -65.23 -36.38 83.98 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.133 -0.627 . . . . 50.0 110.615 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -61.54 -50.75 71.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 118.535 0.607 . . . . 50.0 111.264 177.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -63.74 -43.86 95.22 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 122.555 0.342 . . . . 50.0 111.423 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.29 -44.09 95.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.087 -0.383 . . . . 50.0 110.664 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.44 -34.25 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.401 -0.592 . . . . 50.0 109.401 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.67 -41.44 86.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.993 -0.442 . . . . 50.0 109.887 177.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.0 t -68.96 -44.02 81.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 110.282 -0.266 . . . . 50.0 110.282 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.66 -42.15 87.77 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.679 -0.638 . . . . 50.0 110.876 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -66.58 -39.38 88.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.593 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.16 -37.32 64.04 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.124 0.488 . . . . 50.0 110.427 -177.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -61.58 -41.51 97.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.519 -0.764 . . . . 50.0 111.524 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -59.11 -43.3 91.9 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.705 0.764 . . . . 50.0 110.739 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -67.38 -37.76 83.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.766 -0.652 . . . . 50.0 110.669 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.29 -31.7 70.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.507 0.188 . . . . 25.0 111.507 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.44 -38.6 90.34 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.145 0.497 . . . . 50.0 110.999 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -75.75 -27.52 58.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.85 0.833 . . . . 50.0 108.987 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.01 -25.96 62.03 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.715 -1.13 . . . . 50.0 112.093 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -54.16 -39.36 66.48 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.911 0.386 . . . . 50.0 110.53 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -68.93 -31.24 69.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.96 0.41 . . . . 50.0 111.058 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -72.01 -46.1 58.46 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.86 -0.525 . . . . 50.0 111.869 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.8 pt -70.76 -18.77 21.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-O 120.947 0.403 . . . . 50.0 111.055 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -61.69 -20.13 63.12 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.964 -0.46 . . . . 50.0 111.31 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.26 -47.83 10.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.644 -0.502 . . . . 50.0 109.644 174.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -138.41 132.76 31.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.046 -0.524 . . . . 50.0 112.122 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m 58.61 52.98 6.38 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 116.891 2.182 . . . . 50.0 116.891 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.11 40.23 0.75 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 170.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -69.95 145.83 94.6 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.642 0.608 . . . . 50.0 112.642 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -80.88 176.43 8.98 Favored 'Trans proline' 0 C--N 1.349 0.586 0 N-CA-C 113.787 0.649 . . . . 50.0 113.787 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -112.52 37.87 2.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 105.0 -2.222 . . . . 50.0 105.0 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.0 t0 63.48 103.41 0.03 OUTLIER 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 113.287 -1.779 . . . . 50.0 113.505 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -58.38 -31.48 67.69 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 115.172 1.545 . . . . 50.0 115.172 -176.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -30.98 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.921 0.867 . . . . 50.0 111.419 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.26 -14.74 60.96 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.559 -1.201 . . . . 25.0 113.387 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -96.59 105.66 17.79 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 123.169 1.461 . . . . 50.0 112.285 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.11 9.23 23.37 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.556 -2.111 . . . . 25.0 110.636 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.1 tttp 66.83 179.03 0.22 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 112.726 -2.034 . . . . 50.0 109.311 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.8 mt -114.7 97.17 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 106.94 -1.504 . . . . 50.0 106.94 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -128.74 166.61 18.64 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.399 -1.334 . . . . 50.0 107.399 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -128.58 124.61 36.33 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -82.22 45.03 0.9 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.956 -0.566 . . . . 50.0 111.122 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.1 mt 50.74 58.9 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-O 122.104 0.954 . . . . 50.0 109.529 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -71.76 43.41 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.758 1.762 . . . . 50.0 115.758 -175.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 . . . . . 0 C--O 1.211 -0.945 0 CA-C-O 125.05 2.357 . . . . 25.0 110.586 174.496 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -83.69 -47.63 11.01 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.872 -0.604 . . . . 25.0 111.04 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 56.72 -155.77 0.31 Allowed 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.043 0.84 . . . . 25.0 109.291 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -77.27 138.42 39.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -156.45 -179.0 7.75 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 63.22 -167.33 0.21 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.7 m -77.54 138.02 63.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.641 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.79 140.83 23.78 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 116.689 -1.741 . . . . 50.0 111.543 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.26 -3.77 12.72 Favored Glycine 0 C--O 1.22 -0.748 0 CA-C-N 114.703 -1.135 . . . . 25.0 113.808 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' C ' ' H ' ' A' ' 12' ' ' THR . 13.6 tt0 53.29 31.29 11.5 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 122.101 0.953 . . . . 25.0 112.17 -175.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.5 mt -70.65 -3.74 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-O 123.566 1.651 . . . . 50.0 110.215 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.411 ' H ' ' C ' ' A' ' 10' ' ' GLU . 11.2 p -63.06 -23.05 67.27 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 113.192 -1.822 . . . . 25.0 110.186 173.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 m -82.01 113.1 19.67 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 p 42.72 60.36 10.16 Favored Pre-proline 0 N--CA 1.48 1.061 0 N-CA-C 115.298 1.592 . . . . 25.0 115.298 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.84 -30.54 68.19 Favored 'Trans proline' 0 C--N 1.35 0.655 0 N-CA-C 117.764 2.178 . . . . 50.0 117.764 -171.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.6 4.5 15.75 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.851 -0.531 . . . . 50.0 112.049 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.96 29.82 58.43 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.397 -0.906 . . . . 25.0 111.235 -176.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.27 -27.4 68.61 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.973 0.731 . . . . 50.0 112.973 -175.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -103.05 3.31 35.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.404 1.097 . . . . 25.0 108.86 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -129.24 69.53 81.18 Favored Pre-proline 0 N--CA 1.445 -0.723 0 CA-C-N 115.471 -0.786 . . . . 50.0 112.069 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -60.83 -30.35 89.96 Favored 'Trans proline' 0 C--O 1.213 -0.751 0 O-C-N 121.783 0.359 . . . . 50.0 111.689 175.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.378 -0.201 . . . . 25.0 111.293 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.03 -38.76 43.9 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.339 -0.391 . . . . 50.0 110.188 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.23 -39.35 89.51 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 120.831 -0.348 . . . . 50.0 110.705 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -56.52 -45.59 81.04 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.175 -0.676 . . . . 50.0 109.175 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.43 -44.12 79.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.466 . . . . 50.0 111.622 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -59.27 -49.4 77.99 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.243 0.544 . . . . 50.0 110.281 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.6 mt -58.83 -43.58 90.68 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.567 -0.742 . . . . 75.0 112.117 -178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.27 -34.69 78.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.74 -0.384 . . . . 50.0 110.935 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.91 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.201 -0.454 . . . . 25.0 112.097 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -108.54 101.33 42.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.16 0.43 . . . . 50.0 112.16 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.45 -25.74 48.17 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 N-CA-C 115.667 1.372 . . . . 50.0 115.667 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -76.13 -44.55 37.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.547 0.689 . . . . 25.0 109.884 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -70.04 -39.13 75.93 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.866 -0.79 . . . . 50.0 108.866 -174.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.35 70.39 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.829 -0.544 . . . . 50.0 111.091 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.7 -42.45 58.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.764 0.426 . . . . 25.0 111.702 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.14 -31.25 70.69 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.91 0.862 . . . . 50.0 109.299 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.2 -44.98 82.35 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 115.092 -0.958 . . . . 50.0 111.865 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -69.99 -26.07 63.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 119.891 -0.724 . . . . 50.0 112.365 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.6 -51.84 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.513 . . . . 50.0 110.52 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -95.91 -26.23 15.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 116.338 1.977 . . . . 50.0 116.338 -170.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -134.95 68.28 70.65 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 112.883 0.697 . . . . 50.0 112.883 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.13 -35.9 91.77 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 N-CA-C 118.249 2.365 . . . . 50.0 118.249 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.1 -30.01 26.07 Favored 'Trans proline' 0 C--N 1.362 1.276 1 C-N-CA 112.237 -4.709 . . . . 50.0 115.821 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.51 -34.84 60.85 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 120.887 -1.133 . . . . 50.0 107.962 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.36 75.13 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.47 -31.49 71.46 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.054 0.843 . . . . 50.0 110.99 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.449 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.02 -40.56 96.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.32 175.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.19 -42.67 83.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 50.0 110.476 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.02 -28.75 70.01 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.084 0.469 . . . . 50.0 111.074 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -75.72 -18.23 59.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 50.0 112.449 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.44 -30.95 3.95 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 113.949 0.34 . . . . 25.0 113.949 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.5 110.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.918 0.866 . . . . 50.0 112.592 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.17 -37.29 86.93 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.78 -0.822 . . . . 50.0 108.78 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.92 -43.37 91.1 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.969 -0.692 . . . . 50.0 111.997 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 20.0 ptmt -73.43 -36.32 65.92 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.653 -0.654 . . . . 50.0 110.15 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.88 -51.46 69.63 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.463 -0.495 . . . . 50.0 109.989 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -62.49 -40.52 96.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.778 0.658 . . . . 50.0 112.778 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -46.81 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.94 -0.475 . . . . 50.0 110.034 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.3 t -70.79 -33.17 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tp -55.29 -43.73 75.07 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.057 -0.402 . . . . 50.0 110.199 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.1 t -68.76 -43.23 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 122.158 -0.338 . . . . 50.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -60.35 -42.16 95.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.213 0.53 . . . . 50.0 110.598 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -66.42 -39.29 88.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.199 -0.455 . . . . 50.0 110.343 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -63.51 -38.91 92.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.694 -0.402 . . . . 50.0 111.08 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -63.25 -39.58 95.02 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.492 -0.483 . . . . 50.0 111.201 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -77.07 -41.81 40.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.439 0.638 . . . . 50.0 112.398 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -34.81 77.05 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 121.776 -0.577 . . . . 50.0 111.004 -176.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.78 -32.85 66.06 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.791 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -65.16 -43.59 91.29 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 121.851 -0.531 . . . . 50.0 110.984 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -71.4 -33.62 69.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.995 0.426 . . . . 50.0 110.376 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -60.51 -34.08 73.56 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.38 -0.373 . . . . 50.0 111.908 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -57.53 -34.62 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.104 0.478 . . . . 50.0 111.009 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.95 -36.09 42.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.147 -0.346 . . . . 50.0 111.921 174.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -70.43 -35.43 73.38 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.754 1.02 . . . . 50.0 113.754 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.5 pt -65.71 -13.91 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 112.146 0.424 . . . . 50.0 112.146 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -59.3 -18.18 35.55 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 111.987 0.365 . . . . 50.0 111.987 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.2 tp -96.2 -121.22 0.11 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 107.589 -1.263 . . . . 50.0 107.589 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -147.5 157.86 43.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.824 -0.806 . . . . 50.0 108.824 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.6 m -150.29 133.96 16.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 104.693 -2.336 . . . . 50.0 104.693 172.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.21 35.95 0.14 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.324 0.583 . . . . 25.0 109.877 -174.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.55 146.34 97.66 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.516 -0.765 . . . . 50.0 110.951 -174.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.44 163.03 32.75 Favored 'Trans proline' 0 C--N 1.349 0.599 0 N-CA-C 114.258 0.83 . . . . 50.0 114.258 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -133.43 35.08 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.724 0.773 . . . . 50.0 109.478 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.12 51.77 2.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.969 0.89 . . . . 50.0 110.89 -172.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 98.3 mt -72.64 -21.34 61.11 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.661 -0.866 . . . . 50.0 108.661 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -66.88 -22.9 65.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.452 -0.794 . . . . 50.0 111.329 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.38 5.69 19.55 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -79.32 152.73 30.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.671 0.748 . . . . 50.0 111.805 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.0 139.64 52.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.531 0.681 . . . . 25.0 111.761 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -89.64 169.87 10.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.046 -0.979 . . . . 50.0 109.227 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.9 mt -132.97 130.89 58.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 103.434 -2.802 . . . . 50.0 103.434 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -122.74 161.66 23.51 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 106.987 -1.486 . . . . 50.0 106.987 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -120.1 146.8 45.59 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.37 0.507 . . . . 25.0 112.37 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -125.78 78.78 1.77 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 122.009 0.909 . . . . 50.0 109.421 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.3 pt -87.53 29.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.655 -0.702 . . . . 50.0 111.042 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -82.6 1.54 37.67 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.504 1.145 . . . . 50.0 112.021 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 . . . . . 0 C--O 1.21 -0.995 0 CA-C-O 125.09 2.376 . . . . 25.0 111.959 179.436 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.529 3.498 0 CA-C-O 122.63 1.205 . . . . 25.0 113.206 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -134.14 139.46 45.91 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -152.01 73.4 1.05 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.039 0.447 . . . . 25.0 111.481 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.8 p -121.29 138.76 54.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.377 0.608 . . . . 25.0 111.313 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -166.91 136.63 2.97 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 105.644 -1.984 . . . . 25.0 105.644 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -157.14 -178.43 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.1 m -148.35 160.67 36.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 106.539 -1.652 . . . . 25.0 106.539 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.05 174.68 12.38 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 117.776 -1.016 . . . . 50.0 111.846 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.59 -67.73 0.02 OUTLIER Glycine 0 C--O 1.219 -0.792 0 N-CA-C 111.476 -0.65 . . . . 25.0 111.476 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 58.7 29.46 18.64 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.033 0.921 . . . . 25.0 113.26 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.1 mt -81.08 -1.97 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.019 0 CA-C-O 123.725 1.726 . . . . 50.0 109.913 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 p -124.95 134.02 52.8 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.655 -1.611 . . . . 25.0 111.186 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.1 p -76.22 169.99 17.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -121.93 78.16 40.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.932 0.396 . . . . 25.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.01 -6.43 15.96 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.363 2.042 . . . . 50.0 114.271 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -70.85 46.21 0.09 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.312 -1.313 . . . . 50.0 113.01 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.16 -8.17 64.75 Favored Glycine 0 C--O 1.225 -0.455 0 N-CA-C 115.975 1.15 . . . . 25.0 115.975 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.1 mt -87.74 -36.4 17.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.218 1.009 . . . . 50.0 109.944 -177.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -25.53 65.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.947 -1.024 . . . . 25.0 108.6 172.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -124.14 76.34 59.76 Favored Pre-proline 0 C--O 1.241 0.625 0 CA-C-N 115.288 -0.869 . . . . 50.0 112.164 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -60.85 -28.06 85.8 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 O-C-N 121.827 0.383 . . . . 50.0 112.77 178.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.32 93.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 111.379 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.5 mt -76.88 -39.34 51.34 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 110.112 -0.329 . . . . 50.0 110.112 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.85 -39.85 87.72 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.672 -0.411 . . . . 50.0 110.518 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -56.79 -46.19 81.7 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 109.273 -0.64 . . . . 50.0 109.273 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.3 -46.78 82.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.47 -0.332 . . . . 50.0 111.821 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.79 -41.3 97.56 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.715 0.293 . . . . 50.0 111.612 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.62 -42.48 95.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.628 -0.26 . . . . 50.0 111.059 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -63.89 -36.64 84.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.126 0.488 . . . . 50.0 110.121 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.38 -11.95 59.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.772 -0.649 . . . . 25.0 112.63 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -116.4 101.86 53.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 112.724 0.638 . . . . 50.0 112.724 -174.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.9 -26.5 51.68 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 N-CA-C 115.669 1.373 . . . . 50.0 115.669 -176.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -76.12 -42.03 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.712 0.768 . . . . 25.0 110.815 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -71.57 -37.35 71.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.383 -0.826 . . . . 50.0 109.358 -175.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -28.88 67.25 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.759 -0.588 . . . . 50.0 110.327 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -74.0 -44.34 54.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.207 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.42 -31.5 72.63 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 122.163 0.982 . . . . 50.0 109.102 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.7 tp -66.72 -45.99 76.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.985 -1.007 . . . . 50.0 112.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.13 -26.18 63.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 120.227 -0.589 . . . . 50.0 112.203 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -73.69 -51.85 15.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.205 0.526 . . . . 50.0 110.744 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -98.25 -24.12 15.38 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.711 1.745 . . . . 50.0 115.711 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -134.76 65.91 67.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 N-CA-C 113.811 1.041 . . . . 50.0 113.811 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -54.66 -34.5 83.81 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 N-CA-C 118.821 2.585 . . . . 50.0 118.821 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.77 -34.08 25.51 Favored 'Trans proline' 0 C--N 1.362 1.268 1 C-N-CA 112.794 -4.338 . . . . 50.0 115.332 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -75.46 -32.76 60.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 108.188 -1.041 . . . . 50.0 108.188 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.24 -50.12 72.99 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.34 -32.21 69.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.108 0.867 . . . . 50.0 110.686 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.464 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.76 -44.47 96.11 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.94 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.64 -42.77 81.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.652 -0.703 . . . . 50.0 110.782 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.98 -30.49 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.315 0.579 . . . . 50.0 110.938 -173.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.95 -22.95 60.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.617 -0.719 . . . . 50.0 112.329 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.56 -22.06 18.81 Favored Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.509 -0.314 . . . . 25.0 112.702 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.46 117.25 5.03 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.927 0.491 . . . . 50.0 112.006 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.36 -37.99 84.08 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.405 -0.518 . . . . 50.0 109.921 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.72 -52.57 64.93 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.673 -0.411 . . . . 50.0 110.374 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.4 ptmt -64.95 -34.98 79.72 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 120.499 -0.48 . . . . 50.0 110.16 178.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -63.86 -51.43 64.65 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 118.258 0.481 . . . . 50.0 111.311 178.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -64.99 -38.55 91.34 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 122.688 0.395 . . . . 50.0 111.886 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -62.84 -46.38 88.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.887 0.375 . . . . 50.0 110.356 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.68 -34.31 51.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.592 -0.892 . . . . 50.0 108.592 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.37 -45.09 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.034 -0.416 . . . . 50.0 111.235 179.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 p -72.17 -37.48 59.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 C-N-CA 120.072 -0.651 . . . . 50.0 110.841 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.52 -38.92 91.82 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.5 -0.75 . . . . 50.0 111.015 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -60.89 -43.56 98.32 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 108.829 -0.804 . . . . 50.0 108.829 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -66.55 -36.13 81.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.883 0.327 . . . . 50.0 111.883 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -62.25 -37.55 85.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.978 0.418 . . . . 50.0 110.698 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.07 -37.16 61.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.435 0.636 . . . . 50.0 111.23 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -63.02 -37.48 87.36 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 116.001 -0.545 . . . . 50.0 110.406 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.2 -30.89 60.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -70.83 -49.68 43.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 50.0 111.638 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -78.53 -26.4 45.76 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.025 0.75 . . . . 50.0 113.025 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -30.78 71.04 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 111.68 0.252 . . . . 50.0 111.68 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -58.17 -40.18 80.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.547 -0.297 . . . . 50.0 111.058 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.19 -35.85 61.49 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.909 -0.494 . . . . 50.0 110.394 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.31 -41.28 96.92 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.659 0.614 . . . . 50.0 112.659 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.8 pt -69.43 -21.8 25.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.161 -0.616 . . . . 50.0 110.028 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.27 -23.0 32.87 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.21 0.819 . . . . 50.0 113.21 177.37 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.38 -49.69 72.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.486 0.491 . . . . 50.0 110.699 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -68.2 104.0 1.71 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.767 0.794 . . . . 50.0 112.301 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -124.72 39.34 4.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.739 -1.119 . . . . 50.0 109.924 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 58.74 37.52 25.05 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 122.141 0.972 . . . . 25.0 109.568 -174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -109.87 166.63 10.42 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 113.882 -1.508 . . . . 50.0 107.397 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -71.68 161.21 45.92 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 116.259 -2.028 . . . . 50.0 111.916 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -88.24 13.92 10.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.42 0.628 . . . . 50.0 112.483 -175.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -84.23 52.49 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.366 -0.834 . . . . 50.0 109.034 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.75 -34.87 76.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 50.0 112.042 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.8 -40.76 15.69 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.628 0.232 . . . . 50.0 111.628 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 47.68 28.1 1.19 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -94.79 154.85 17.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.149 0.5 . . . . 50.0 111.867 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.93 137.09 47.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 105.916 -1.883 . . . . 25.0 105.916 172.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -146.81 166.79 25.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.502 -0.555 . . . . 50.0 109.502 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.9 mt -127.58 126.15 66.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 103.316 -2.846 . . . . 50.0 103.316 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -129.52 161.26 30.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 105.656 -1.979 . . . . 50.0 105.656 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -135.61 144.5 46.15 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -149.83 80.07 1.38 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.058 -1.83 . . . . 50.0 106.058 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.3 mt -79.04 55.79 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 122.466 1.127 . . . . 50.0 109.761 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -85.28 4.43 34.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.262 1.03 . . . . 50.0 112.961 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 C--O 1.212 -0.87 0 CA-C-O 124.798 2.237 . . . . 25.0 111.158 -179.637 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 124.277 1.989 . . . . 25.0 113.525 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -72.61 100.25 2.74 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 113.342 -1.754 . . . . 25.0 110.493 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -76.48 -10.9 59.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.266 -0.424 . . . . 25.0 111.769 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 t 58.42 19.58 6.59 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.624 0.77 . . . . 25.0 113.034 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -83.6 120.6 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.774 -0.825 . . . . 25.0 108.774 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -92.58 7.03 45.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.252 0.548 . . . . 25.0 109.979 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.8 m -66.6 137.51 95.17 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.906 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.21 155.51 56.27 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 115.567 -2.489 . . . . 50.0 109.345 173.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.58 -15.2 60.13 Favored Glycine 0 C--N 1.315 -0.59 0 CA-C-N 115.171 -0.922 . . . . 25.0 114.216 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -74.87 24.42 0.09 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.48 4.81 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.418 -2.036 0 C-N-CA 125.014 1.326 . . . . 50.0 111.299 178.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -83.06 -13.86 54.93 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.545 -1.661 . . . . 25.0 109.798 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.6 m -130.86 171.61 12.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.359 -0.837 . . . . 25.0 109.169 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.0 m -115.44 63.86 1.95 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -70.46 -17.73 34.2 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 116.828 -1.648 . . . . 50.0 113.239 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.22 -1.89 7.04 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 114.165 1.172 . . . . 50.0 114.165 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.69 34.82 21.22 Favored Glycine 0 C--O 1.218 -0.874 0 C-N-CA 118.97 -1.585 . . . . 25.0 112.912 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.2 mt -65.79 -32.56 74.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.51 -0.922 . . . . 50.0 108.51 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -78.46 -25.87 46.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.755 -1.111 . . . . 25.0 110.231 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -119.85 76.08 20.96 Favored Pre-proline 0 C--O 1.241 0.647 0 CA-C-N 115.325 -0.852 . . . . 50.0 113.288 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_endo -59.76 -28.88 88.3 Favored 'Trans proline' 0 C--O 1.218 -0.479 0 O-C-N 121.615 0.271 . . . . 50.0 112.044 176.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.45 98.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.94 -40.22 40.25 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.234 0.334 . . . . 50.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.03 -42.52 94.26 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.925 -0.31 . . . . 50.0 111.095 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.409 ' HD3' HD21 ' A' ' 54' ' ' LEU . 20.0 ttp85 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.148 -0.686 . . . . 50.0 109.148 176.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.01 -44.74 83.87 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.218 -0.447 . . . . 50.0 111.463 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.09 -41.13 97.88 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.49 -0.323 . . . . 50.0 110.697 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.99 -44.26 93.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.475 -0.329 . . . . 50.0 111.826 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.3 -34.81 78.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.106 0.479 . . . . 50.0 109.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.28 -12.18 59.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.608 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.32 99.64 52.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.36 0.504 . . . . 50.0 112.36 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.11 -25.61 58.29 Favored 'Trans proline' 0 C--N 1.345 0.374 0 N-CA-C 115.368 1.257 . . . . 50.0 115.368 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -75.98 -42.4 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.724 -0.61 . . . . 25.0 110.925 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.65 -38.0 65.12 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.661 -0.866 . . . . 50.0 108.661 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -30.28 71.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.932 -0.48 . . . . 50.0 110.735 177.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.8 -42.84 57.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 25.0 110.84 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -33.19 75.28 Favored 'General case' 0 CA--C 1.483 -1.612 0 CA-C-O 121.667 0.746 . . . . 50.0 109.026 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.75 -44.76 84.97 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.312 -0.858 . . . . 50.0 112.734 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -68.37 -28.8 67.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 119.647 -0.821 . . . . 50.0 111.78 175.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -74.22 -51.84 14.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.539 0.685 . . . . 50.0 111.397 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -86.84 -28.93 22.6 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.755 1.391 . . . . 50.0 114.755 -174.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -137.4 68.2 53.87 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 114.14 1.163 . . . . 50.0 114.14 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.46 -36.42 88.0 Favored 'Trans proline' 0 CA--C 1.553 1.453 0 N-CA-C 118.153 2.328 . . . . 50.0 118.153 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.24 -28.98 27.1 Favored 'Trans proline' 0 C--N 1.361 1.194 1 C-N-CA 112.765 -4.357 . . . . 50.0 116.222 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -75.46 -33.96 60.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.564 -1.335 . . . . 50.0 108.206 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.18 76.39 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 113.102 0.778 . . . . 25.0 113.102 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.12 -31.59 69.07 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.962 0.801 . . . . 50.0 111.094 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.68 91.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.008 0.432 . . . . 25.0 110.965 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.54 -40.84 89.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 50.0 109.919 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.78 -31.43 72.66 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.228 0.537 . . . . 50.0 110.668 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -74.26 -21.94 59.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.594 -0.73 . . . . 50.0 111.832 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.37 4.74 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 121.664 -0.303 . . . . 25.0 113.259 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 108.39 0.47 Allowed 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.894 1.33 . . . . 50.0 112.65 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.409 HD21 ' HD3' ' A' ' 25' ' ' ARG . 1.3 tm? -67.41 -32.3 73.1 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 114.76 -1.109 . . . . 50.0 108.627 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.0 -47.36 77.91 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.358 -0.537 . . . . 50.0 112.13 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -74.44 -34.33 63.16 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 109.38 -0.6 . . . . 50.0 109.38 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -61.93 -51.47 68.01 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 120.873 -0.331 . . . . 50.0 110.75 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -62.0 -39.21 91.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.896 0.379 . . . . 50.0 111.976 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -66.48 -49.7 65.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 50.0 110.053 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -70.08 -30.25 43.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.928 -1.138 . . . . 50.0 107.928 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.25 -46.21 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.07 -0.394 . . . . 50.0 110.951 176.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.87 -36.23 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.289 -0.564 . . . . 50.0 111.246 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.87 -37.09 86.1 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.596 -0.69 . . . . 50.0 110.233 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -63.13 -38.79 92.58 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.865 -0.522 . . . . 50.0 110.453 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -69.47 -32.47 71.4 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.878 -0.514 . . . . 50.0 110.87 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.94 -38.99 90.05 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.936 -0.478 . . . . 50.0 109.768 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.69 -38.14 80.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.353 0.597 . . . . 50.0 111.001 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.4 -41.95 86.05 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.699 -0.682 . . . . 50.0 109.766 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.0 69.74 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -69.19 -49.65 54.64 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.917 -0.49 . . . . 50.0 110.373 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -74.35 -25.58 59.61 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.349 0.595 . . . . 50.0 112.169 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -53.44 -34.45 57.89 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.714 -0.675 . . . . 50.0 111.675 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -58.3 -35.66 72.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.247 0.546 . . . . 50.0 111.014 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -79.82 -36.18 37.27 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.067 0.395 . . . . 50.0 112.067 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -65.5 -29.72 70.4 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.126 1.158 . . . . 50.0 114.126 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.3 pt -62.56 -18.83 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 117.876 0.307 . . . . 50.0 111.76 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -50.5 -32.77 19.16 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.105 0.409 . . . . 50.0 112.105 173.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.3 tp 62.38 -54.06 0.15 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 117.536 2.421 . . . . 50.0 117.536 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -74.92 145.57 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.078 -0.389 . . . . 50.0 110.815 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.6 m 60.36 43.97 12.82 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.145 0.903 . . . . 50.0 111.421 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -139.71 29.77 2.11 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.83 156.25 92.08 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 114.144 -1.389 . . . . 50.0 112.121 -175.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -75.79 162.46 35.06 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 120.344 0.696 . . . . 50.0 113.631 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -122.1 8.88 9.83 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.025 0.917 . . . . 50.0 113.44 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -96.81 48.19 1.06 Allowed 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 105.658 -1.978 . . . . 50.0 105.658 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.31 -29.53 70.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.094 -0.957 . . . . 50.0 111.615 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -80.95 -36.48 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.365 -0.38 . . . . 50.0 110.375 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 36.2 55.66 1.04 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.826 1.25 . . . . 25.0 113.096 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -73.95 172.71 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.171 -0.922 . . . . 50.0 111.804 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.11 8.86 5.07 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.439 2.014 . . . . 25.0 116.439 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -78.4 154.2 30.9 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.301 -1.772 . . . . 50.0 106.708 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.4 mt -135.52 119.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.147 -1.797 . . . . 50.0 106.147 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -107.12 160.32 15.65 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.04 -1.096 . . . . 50.0 108.04 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.8 156.38 41.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -163.25 57.63 0.19 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.175 -0.921 . . . . 50.0 110.737 175.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 pt -104.07 23.3 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 107.33 -1.359 . . . . 50.0 107.33 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -82.39 29.86 0.42 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.08 -0.964 . . . . 50.0 113.384 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 CA--C 1.552 1.041 0 CA-C-O 124.927 2.299 . . . . 25.0 113.143 175.652 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 114.717 1.377 . . . . 25.0 114.717 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -139.36 113.75 9.01 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -151.46 146.22 25.77 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 p -83.87 140.8 31.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.249 -1.019 . . . . 25.0 108.249 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -121.05 -36.01 3.21 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.804 0.335 . . . . 25.0 111.482 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.48 140.86 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 178.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.7 m -154.29 156.21 31.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 106.553 -1.647 . . . . 25.0 106.553 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.07 165.24 31.61 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 117.376 -1.282 . . . . 50.0 111.045 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.7 20.99 1.48 Allowed Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.625 -0.716 . . . . 25.0 113.618 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' C ' ' H ' ' A' ' 12' ' ' THR . 41.6 mt-10 -91.18 26.6 2.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.363 1.078 . . . . 25.0 110.485 -178.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.6 mt -73.04 4.14 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.752 1.621 . . . . 50.0 111.814 -177.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.407 ' H ' ' C ' ' A' ' 10' ' ' GLU . 23.7 p -64.2 141.96 58.58 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.851 -1.068 . . . . 25.0 112.504 -177.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -76.25 108.5 9.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.291 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 t -129.42 76.95 78.15 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.033 -0.531 . . . . 25.0 112.183 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.57 -6.92 18.92 Favored 'Trans proline' 0 C--N 1.348 0.521 0 CA-C-O 121.151 0.396 . . . . 50.0 113.079 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 70.5 -42.89 0.54 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.512 1.925 . . . . 50.0 113.294 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.0 15.86 7.87 Favored Glycine 0 C--O 1.223 -0.559 0 O-C-N 122.099 -0.376 . . . . 25.0 112.94 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -62.39 -37.43 85.74 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.791 -0.448 . . . . 50.0 109.791 174.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -84.15 -31.59 25.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.52 1.153 . . . . 25.0 108.44 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.65 86.97 13.57 Favored Pre-proline 0 C--O 1.242 0.668 0 N-CA-C 114.841 1.423 . . . . 50.0 114.841 -177.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.15 -24.06 76.03 Favored 'Trans proline' 0 C--O 1.215 -0.658 0 C-N-CA 118.352 -0.632 . . . . 50.0 113.064 176.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.99 97.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.229 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.49 -40.38 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 50.0 110.492 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 tp -64.53 -39.51 93.9 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.51 -0.476 . . . . 50.0 110.546 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -58.86 -43.94 90.92 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.436 -0.579 . . . . 50.0 109.436 176.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.87 -45.82 80.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.832 0.349 . . . . 50.0 111.367 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.6 ttp -59.77 -45.61 91.75 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.923 0.392 . . . . 50.0 110.866 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -62.61 -44.43 96.32 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.867 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -65.11 -33.87 77.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.923 0.392 . . . . 50.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.5 -12.11 59.88 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -114.86 99.94 52.76 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-O 120.868 0.366 . . . . 50.0 111.837 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.53 -25.67 55.07 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 115.414 1.275 . . . . 50.0 115.414 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -76.13 -43.15 44.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.386 0.613 . . . . 25.0 110.797 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.25 -38.27 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.845 -0.798 . . . . 50.0 108.845 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -30.27 70.46 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.955 -0.466 . . . . 50.0 110.66 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.65 -43.04 57.31 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.549 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.84 -31.58 72.29 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-O 121.868 0.842 . . . . 50.0 109.243 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.35 -46.44 76.76 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.918 -1.037 . . . . 50.0 111.775 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.56 -26.2 64.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 120.074 -0.651 . . . . 50.0 112.201 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.68 -51.88 17.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 50.0 110.69 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -101.65 -20.81 14.86 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 117.4 2.37 . . . . 50.0 117.4 -170.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -133.16 64.95 72.14 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 112.426 0.528 . . . . 50.0 112.426 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -55.33 -33.53 85.54 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 N-CA-C 118.335 2.398 . . . . 50.0 118.335 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.85 -32.32 29.64 Favored 'Trans proline' 0 C--N 1.364 1.354 1 C-N-CA 112.344 -4.637 . . . . 50.0 115.236 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -75.52 -36.05 60.61 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 121.008 -1.057 . . . . 50.0 108.337 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -49.41 76.69 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.13 -31.47 70.09 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.889 0.768 . . . . 50.0 110.999 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -65.4 -38.39 89.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.805 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.0 -42.96 75.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.265 -0.425 . . . . 50.0 110.219 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.38 -31.18 72.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.255 0.55 . . . . 50.0 111.182 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -23.18 63.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.416 -0.811 . . . . 50.0 111.871 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.95 -28.14 4.66 Favored Glycine 0 N--CA 1.46 0.275 0 CA-C-O 121.405 0.447 . . . . 25.0 111.987 -177.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -57.67 101.79 0.08 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.776 1.23 . . . . 50.0 111.908 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.13 -35.41 80.18 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.492 -0.755 . . . . 75.0 110.602 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.02 70.16 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.43 -0.508 . . . . 50.0 111.15 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.4 ptmt -83.29 -36.69 24.29 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.73 -0.388 . . . . 50.0 110.189 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -58.3 -48.4 80.63 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.645 -0.422 . . . . 50.0 110.418 176.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.6 t -65.32 -40.65 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.233 0.457 . . . . 50.0 112.233 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -60.49 -45.7 92.8 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.909 0.385 . . . . 50.0 110.448 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -73.91 -33.23 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.12 -46.61 82.49 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.978 -0.451 . . . . 50.0 111.265 179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.97 -36.19 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 120.365 -0.534 . . . . 50.0 110.905 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -62.81 -43.06 99.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.553 0.692 . . . . 50.0 109.913 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -68.28 -33.91 75.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.048 -0.407 . . . . 50.0 110.887 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -67.66 -37.06 81.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.124 0.42 . . . . 50.0 111.895 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -61.57 -42.39 98.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.416 -0.587 . . . . 50.0 109.416 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.41 -35.37 63.42 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.159 -0.616 . . . . 50.0 111.458 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -59.15 -39.3 81.99 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-O 119.1 -0.476 . . . . 50.0 110.157 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.35 -34.28 72.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.774 0.321 . . . . 25.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -70.13 -46.2 65.26 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.559 -0.534 . . . . 50.0 109.559 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -62.98 -35.67 80.93 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.312 0.577 . . . . 50.0 109.952 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.22 -34.61 75.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.543 -0.753 . . . . 50.0 112.699 -173.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -58.34 -41.3 84.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.465 0.65 . . . . 50.0 109.669 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -75.45 -35.03 60.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 50.0 111.378 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 mtp-105 -64.51 -42.28 95.91 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.049 0.759 . . . . 50.0 113.049 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.6 pt -73.76 -18.77 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.949 0.404 . . . . 50.0 111.073 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -82.88 -16.18 48.54 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 110.041 -0.355 . . . . 50.0 110.041 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -93.3 170.05 9.92 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.278 -1.379 . . . . 50.0 107.278 177.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -114.73 148.12 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.44 150.92 35.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.019 -2.586 . . . . 50.0 104.019 177.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.43 40.56 0.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -177.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.17 142.34 97.76 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.211 -0.904 . . . . 50.0 111.423 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -76.59 161.48 34.02 Favored 'Trans proline' 0 C--N 1.347 0.47 0 N-CA-C 113.43 0.512 . . . . 50.0 113.43 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -107.93 -9.98 15.6 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 123.901 1.81 . . . . 50.0 109.926 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -102.09 53.16 0.81 Allowed 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 111.553 -2.567 . . . . 50.0 107.117 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.49 -39.03 86.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.657 -1.156 . . . . 50.0 109.96 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.95 -33.42 22.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.525 . . . . 50.0 111.309 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 49.25 30.18 3.0 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 114.497 1.295 . . . . 25.0 114.497 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -114.54 157.55 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.36 0.874 . . . . 50.0 113.36 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 50.69 -156.68 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.631 1.345 . . . . 25.0 114.631 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -167.28 168.53 13.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 106.262 -1.755 . . . . 50.0 106.262 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.9 mt -124.51 117.72 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 103.688 -2.708 . . . . 50.0 103.688 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.31 158.32 16.17 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.193 -1.04 . . . . 50.0 108.193 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -120.8 129.36 53.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.426 ' C ' ' H ' ' A' ' 97' ' ' ARG . 49.5 t0 -136.66 69.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.434 1.112 . . . . 50.0 108.096 168.237 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.2 pt -77.82 21.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.908 -1.042 . . . . 50.0 112.359 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.426 ' H ' ' C ' ' A' ' 95' ' ' ASP . 11.5 ttm180 -83.96 42.27 0.85 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.888 0.851 . . . . 50.0 112.991 -174.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.484 1.244 0 C-N-CA 125.962 1.705 . . . . 25.0 114.799 178.081 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 114.788 1.403 . . . . 25.0 114.788 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -86.23 140.49 30.08 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 175.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.01 144.69 55.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.6 p -163.89 178.82 7.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.517 -2.031 . . . . 25.0 105.517 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -118.56 148.34 42.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -65.73 145.6 55.8 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.328 -0.249 . . . . 25.0 110.328 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.6 t -119.52 84.69 30.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.072 -0.344 . . . . 25.0 110.072 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -74.29 173.59 13.93 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 118.495 -0.537 . . . . 50.0 111.949 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.5 27.8 10.27 Favored Glycine 0 C--O 1.225 -0.425 0 C-N-CA 121.034 -0.603 . . . . 25.0 112.799 178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -77.74 29.36 0.16 Allowed 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.124 0.964 . . . . 25.0 112.604 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.1 mt -95.34 28.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 105.644 -1.984 . . . . 50.0 105.644 173.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -141.97 172.65 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.092 -0.958 . . . . 25.0 108.658 -173.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.5 m -68.9 170.47 9.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.096 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 p -107.28 76.42 0.49 Allowed Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.6 -26.22 33.84 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 116.546 -1.836 . . . . 50.0 112.485 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -75.54 -14.57 60.41 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.967 -0.458 . . . . 50.0 109.952 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.95 -20.08 76.54 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 109.595 -1.402 . . . . 25.0 109.595 175.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.6 mt -77.48 -37.72 50.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.065 -0.717 . . . . 50.0 109.065 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -75.36 -34.37 61.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.377 1.084 . . . . 25.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -118.8 82.69 21.0 Favored Pre-proline 0 C--O 1.241 0.606 0 CA-C-N 114.975 -1.011 . . . . 50.0 111.373 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -59.37 -25.9 80.03 Favored 'Trans proline' 0 C--O 1.216 -0.618 0 O-C-N 121.704 0.318 . . . . 50.0 112.555 175.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.23 91.24 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.379 -0.201 . . . . 25.0 111.231 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.99 -39.23 43.0 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 123.619 0.574 . . . . 50.0 110.725 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.15 -40.06 90.29 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.569 -0.452 . . . . 50.0 110.573 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -43.64 84.29 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.841 -0.8 . . . . 50.0 108.841 176.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.49 -46.99 77.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.826 -0.624 . . . . 50.0 111.445 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.26 -44.73 95.04 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 121.002 0.429 . . . . 50.0 111.019 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.3 -43.04 99.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.021 -0.536 . . . . 50.0 111.989 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -65.01 -35.14 80.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.729 -0.389 . . . . 50.0 110.432 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 -9.4 59.84 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.459 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -116.93 100.39 53.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.74 -0.6 . . . . 50.0 111.7 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.95 -25.27 59.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 N-CA-C 114.986 1.11 . . . . 50.0 114.986 -176.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -76.01 -45.62 33.61 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.877 -0.514 . . . . 25.0 109.742 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -38.64 81.06 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.649 -0.871 . . . . 50.0 108.649 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -30.46 70.33 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 121.517 -0.739 . . . . 50.0 111.643 178.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -35.08 56.8 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.671 0.389 . . . . 25.0 111.561 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -73.63 -33.8 64.7 Favored 'General case' 0 CA--C 1.48 -1.716 0 N-CA-C 107.429 -1.323 . . . . 50.0 107.429 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -63.53 -42.73 98.4 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.752 -0.658 . . . . 50.0 112.75 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -66.33 -25.99 67.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 119.915 -0.714 . . . . 50.0 112.312 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -80.74 -51.86 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.018 0.437 . . . . 50.0 111.084 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -76.29 -35.46 58.85 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.375 1.25 . . . . 50.0 114.375 -177.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -140.18 70.67 34.21 Favored Pre-proline 0 C--O 1.242 0.703 0 N-CA-C 112.861 0.689 . . . . 50.0 112.861 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.3 -37.69 88.52 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 117.992 2.266 . . . . 50.0 117.992 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.2 -28.92 27.38 Favored 'Trans proline' 0 C--N 1.36 1.158 1 C-N-CA 112.536 -4.509 . . . . 50.0 116.286 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -71.55 -36.98 71.15 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.465 -1.397 . . . . 50.0 107.853 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.11 78.42 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 115.258 -0.883 . . . . 25.0 112.702 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.32 -31.45 71.3 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.344 0.974 . . . . 50.0 111.092 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.462 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.95 -39.67 93.85 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.402 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.84 -42.57 85.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.361 . . . . 50.0 110.546 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.08 -27.31 69.31 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.122 0.487 . . . . 50.0 111.138 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 m -74.85 -21.79 59.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.796 -0.638 . . . . 50.0 112.263 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.51 -27.48 6.35 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.554 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -58.42 102.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.372 1.069 . . . . 50.0 111.808 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.97 -35.19 77.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.218 -1.03 . . . . 50.0 108.218 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.911 -0.716 . . . . 50.0 112.132 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.462 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.32 -33.91 65.4 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.729 0.695 . . . . 50.0 110.477 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.73 -51.01 71.6 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.527 -0.469 . . . . 50.0 109.918 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -63.91 -39.91 95.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.493 0.553 . . . . 50.0 112.493 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -61.27 -43.95 98.03 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 121.323 0.582 . . . . 50.0 110.408 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.03 -35.85 42.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.848 -0.427 . . . . 50.0 109.848 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tp -59.85 -45.31 92.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.724 -0.216 . . . . 50.0 110.733 179.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.9 -34.52 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 121.954 -0.466 . . . . 50.0 110.838 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -62.21 -46.41 89.03 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.829 -0.544 . . . . 50.0 110.162 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -63.79 -30.18 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.636 -0.665 . . . . 50.0 112.502 175.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.05 -33.88 68.32 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.282 -0.567 . . . . 50.0 111.746 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -68.1 -37.65 81.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.297 -1.001 . . . . 50.0 108.297 173.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.66 -35.7 73.0 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.45 0.537 . . . . 50.0 112.45 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.9 ptt-85 -63.08 -40.23 97.06 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 108.451 -0.944 . . . . 50.0 108.451 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.44 68.33 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.429 0.455 . . . . 25.0 112.176 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtm-85 -67.15 -47.55 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.022 0.439 . . . . 50.0 111.117 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -79.21 -26.34 42.58 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.249 0.833 . . . . 50.0 113.249 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -57.12 -30.86 64.74 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.113 0.412 . . . . 50.0 112.113 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -57.48 -36.71 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.89 0.376 . . . . 50.0 110.981 176.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -79.87 -38.11 33.38 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.971 -0.456 . . . . 50.0 111.946 172.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -60.5 -30.65 69.85 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.723 1.379 . . . . 50.0 114.723 -175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.7 pt -64.83 -18.76 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.199 0.444 . . . . 50.0 112.199 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -69.62 -11.53 60.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.531 0.333 . . . . 50.0 111.313 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? 68.57 130.91 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.626 1.97 . . . . 50.0 115.807 171.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -140.4 -175.53 4.3 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.619 -1.623 . . . . 50.0 106.619 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 m -35.42 106.27 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.612 1.565 . . . . 50.0 113.474 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.37 54.54 2.57 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.487 -1.688 . . . . 25.0 109.351 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -68.52 154.94 93.79 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 114.224 -1.353 . . . . 50.0 110.543 -176.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -70.84 164.13 36.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 N-CA-C 113.332 0.474 . . . . 50.0 113.332 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -113.79 14.03 18.59 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.84 -0.618 . . . . 50.0 109.423 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.6 t0 69.9 114.72 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.471 1.508 . . . . 50.0 114.669 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 pp -75.4 -22.2 57.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.358 -1.292 . . . . 50.0 112.303 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -77.78 -21.05 52.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.01 0.434 . . . . 50.0 110.555 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.49 29.83 0.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.803 0.841 . . . . 25.0 112.495 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -89.65 163.87 14.96 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 116.168 1.914 . . . . 50.0 116.168 -174.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 60.94 -159.59 0.32 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.731 1.752 . . . . 25.0 115.731 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -146.17 -174.97 4.58 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.997 -1.112 . . . . 50.0 107.997 -170.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.4 mt -122.1 113.62 39.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.406 -1.331 . . . . 50.0 107.406 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -91.42 127.68 36.95 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.424 -0.353 . . . . 50.0 110.112 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -127.7 150.98 49.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.15 -1.055 . . . . 25.0 108.15 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -145.41 100.38 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.897 0.856 . . . . 50.0 109.134 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 pt -94.99 12.3 3.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.2 1.0 . . . . 50.0 112.266 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -88.6 63.03 6.79 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.992 -1.004 . . . . 50.0 109.359 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 126.586 3.089 . . . . 25.0 110.459 -177.427 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 124.091 1.901 . . . . 25.0 113.939 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -135.37 151.86 50.88 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 113.513 -1.676 . . . . 25.0 107.864 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -150.74 149.36 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.1 t -162.46 150.4 14.21 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.366 -1.346 . . . . 25.0 107.366 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -137.51 -48.47 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m 59.83 -174.32 0.11 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.807 1.04 . . . . 25.0 113.807 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 p -143.66 75.95 16.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.66 170.0 21.13 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 118.454 -0.564 . . . . 50.0 112.359 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.74 28.85 13.62 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-N 115.91 -0.586 . . . . 25.0 114.009 -173.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.417 ' C ' ' H ' ' A' ' 12' ' ' THR . 6.5 mm-40 -81.79 49.74 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.084 0.945 . . . . 25.0 112.098 -174.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 mm -77.34 4.32 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 CA-C-O 122.875 1.321 . . . . 50.0 110.261 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 10' ' ' GLU . 35.1 p -123.96 145.26 49.29 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 105.842 -1.91 . . . . 25.0 105.842 176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 t -142.93 148.71 37.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.349 0.595 . . . . 25.0 111.888 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.578 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 36.3 m -158.99 -46.87 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 124.538 1.135 . . . . 25.0 112.407 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.578 ' HD2' ' H ' ' A' ' 14' ' ' SER . 59.4 Cg_endo -66.46 -9.49 24.28 Favored 'Trans proline' 0 C--N 1.368 1.566 0 N-CA-C 116.072 1.528 . . . . 50.0 116.072 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -57.77 -14.76 6.35 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.939 -1.028 . . . . 50.0 111.652 171.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.64 13.37 63.09 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 121.436 -0.411 . . . . 25.0 112.749 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -64.85 -31.97 73.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.643 0.608 . . . . 50.0 112.643 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -85.23 -30.33 23.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.41 0.624 . . . . 25.0 110.283 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -116.66 78.39 8.85 Favored Pre-proline 0 N--CA 1.445 -0.691 0 N-CA-C 116.637 2.088 . . . . 50.0 116.637 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -60.88 -27.94 85.59 Favored 'Trans proline' 0 C--O 1.218 -0.524 0 N-CA-C 113.474 0.528 . . . . 50.0 113.474 174.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.3 93.09 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.876 -0.329 . . . . 25.0 110.364 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.91 -37.07 56.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 50.0 110.788 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.48 -41.36 93.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.603 -0.439 . . . . 50.0 110.203 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -57.53 -45.07 85.47 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.454 -0.573 . . . . 50.0 109.454 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -43.24 88.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.94 0.4 . . . . 50.0 111.483 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -59.95 -49.29 78.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.259 0.552 . . . . 50.0 109.731 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.9 -44.01 94.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.476 -0.784 . . . . 50.0 111.992 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.66 -36.19 83.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 50.0 110.589 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.39 58.94 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.26 98.48 39.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.402 . . . . 50.0 111.864 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.5 -25.2 63.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 114.992 1.112 . . . . 50.0 114.992 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.07 -44.11 40.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.853 -0.529 . . . . 25.0 111.133 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.56 -39.71 70.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.61 -0.885 . . . . 50.0 108.61 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.52 71.64 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.747 -0.595 . . . . 50.0 111.111 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.4 p -76.46 -35.98 58.14 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.722 0.296 . . . . 25.0 111.576 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.56 -33.19 66.62 Favored 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 108.362 -0.977 . . . . 50.0 108.362 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.06 -44.5 95.64 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.271 -0.877 . . . . 50.0 111.978 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -69.51 -26.05 64.34 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 119.742 -0.783 . . . . 50.0 112.652 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -76.16 -50.79 13.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.403 0.621 . . . . 50.0 110.784 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -82.61 -36.12 26.41 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.925 1.454 . . . . 50.0 114.925 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -135.1 69.1 70.23 Favored Pre-proline 0 N--CA 1.472 0.656 0 N-CA-C 113.427 0.899 . . . . 50.0 113.427 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.05 -35.9 91.43 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.402 2.424 . . . . 50.0 118.402 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -69.69 -29.77 23.69 Favored 'Trans proline' 0 C--N 1.362 1.27 1 C-N-CA 112.336 -4.643 . . . . 50.0 115.941 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.5 tp -75.37 -33.54 61.06 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.842 -1.162 . . . . 50.0 108.046 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.13 77.42 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.857 -0.61 . . . . 25.0 112.457 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.89 -31.48 69.84 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.292 0.951 . . . . 50.0 110.999 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.451 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -60.79 -43.08 98.56 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.967 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.22 -43.99 76.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 50.0 111.08 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.14 -28.89 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.592 0.711 . . . . 50.0 110.524 -174.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 7.9 t -74.03 -23.31 59.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.031 -0.986 . . . . 50.0 112.359 -178.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.83 -18.37 39.85 Favored Glycine 0 CA--C 1.517 0.204 0 CA-C-O 121.258 0.365 . . . . 25.0 112.983 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -68.13 113.28 5.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 50.0 111.741 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.22 -36.23 83.5 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 109.273 -0.639 . . . . 50.0 109.273 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.79 -48.49 81.55 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.955 -0.465 . . . . 50.0 110.696 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.451 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 ptmt -67.63 -36.23 80.41 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.07 -0.652 . . . . 50.0 109.84 177.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -62.12 -50.31 72.41 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 118.304 0.502 . . . . 50.0 111.332 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -64.36 -40.76 96.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.437 0.532 . . . . 50.0 112.437 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -63.84 -45.89 87.48 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.089 -0.382 . . . . 50.0 110.182 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.78 -32.78 56.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 tp -56.23 -42.87 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.033 -0.417 . . . . 50.0 111.054 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.93 -44.71 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 122.176 -0.327 . . . . 50.0 110.4 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.23 -40.3 85.45 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.693 0.759 . . . . 50.0 110.354 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -68.33 -34.81 76.78 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.059 -0.519 . . . . 50.0 110.748 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -65.63 -31.81 73.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 118.224 0.466 . . . . 50.0 110.786 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -64.67 -44.26 90.92 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.81 0.732 . . . . 50.0 109.999 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.73 -40.11 88.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.526 0.679 . . . . 50.0 111.2 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -62.36 -42.44 99.41 Favored 'General case' 0 C--O 1.2 -1.528 0 N-CA-C 108.301 -1.0 . . . . 50.0 108.301 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.42 64.2 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 118.286 0.494 . . . . 25.0 112.259 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -47.97 34.27 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.88 -0.513 . . . . 50.0 111.087 178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -85.89 -29.65 23.5 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 116.73 2.122 . . . . 50.0 116.73 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.43 -32.59 73.56 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 121.832 -0.543 . . . . 50.0 110.471 -174.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -59.09 -33.86 71.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.533 -0.303 . . . . 50.0 110.913 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -70.73 -34.88 72.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.905 0.383 . . . . 50.0 110.795 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.8 mtp-105 -71.33 -54.02 12.21 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.918 0.34 . . . . 50.0 111.918 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.8 pt -64.22 -17.45 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 122.743 0.417 . . . . 50.0 111.699 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -18.46 32.75 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.223 -0.444 . . . . 50.0 111.392 173.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.8 tp -128.73 -50.82 1.25 Allowed 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.798 0.666 . . . . 50.0 112.798 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -144.05 156.78 44.51 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.691 0.282 . . . . 50.0 111.213 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.7 t -135.52 159.12 42.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 103.419 -2.808 . . . . 50.0 103.419 171.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.49 35.78 0.46 Allowed 'General case' 0 C--N 1.32 -0.689 0 O-C-N 123.733 0.645 . . . . 25.0 110.66 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.36 152.57 76.1 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 105.606 -1.998 . . . . 50.0 105.606 175.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.92 158.36 50.02 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 116.977 -1.549 . . . . 50.0 110.829 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -95.17 16.63 15.99 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 113.22 0.822 . . . . 50.0 113.22 -169.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.99 44.17 0.38 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.061 0.934 . . . . 50.0 111.897 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.3 mt -68.78 -28.84 67.14 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.553 -0.906 . . . . 50.0 108.553 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.84 -29.41 63.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.003 -0.999 . . . . 50.0 112.671 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.47 14.24 1.32 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -88.83 126.21 35.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.678 0.751 . . . . 50.0 112.162 -176.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -157.63 166.12 33.7 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -134.54 139.53 45.48 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.121 -1.066 . . . . 50.0 108.121 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.0 mt -138.01 131.13 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 103.473 -2.788 . . . . 50.0 103.473 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -127.44 167.47 16.2 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.383 -1.71 . . . . 50.0 106.383 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -130.22 151.64 50.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.713 1.005 . . . . 25.0 113.713 -174.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -140.68 56.24 1.58 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.769 -1.197 . . . . 50.0 107.769 173.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.1 pt -87.7 44.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 122.179 0.99 . . . . 50.0 109.385 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -82.29 14.79 2.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.723 -0.672 . . . . 50.0 112.151 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.482 1.171 0 C-N-CA 125.956 1.702 . . . . 25.0 114.762 175.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 123.32 1.533 . . . . 25.0 113.869 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 54.8 60.08 3.7 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 112.97 -1.923 . . . . 25.0 112.197 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -101.79 154.86 18.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.874 -0.603 . . . . 25.0 110.862 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -63.84 142.14 58.51 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.242 -0.435 . . . . 25.0 110.919 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -141.8 44.98 1.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -146.34 12.2 1.19 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -176.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.6 t -86.78 135.41 35.7 Favored Pre-proline 0 CA--C 1.539 0.545 0 O-C-N 122.16 -0.338 . . . . 25.0 110.747 -176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -81.61 54.67 5.21 Favored 'Trans proline' 0 C--N 1.349 0.593 0 N-CA-C 115.054 1.136 . . . . 50.0 115.054 -178.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.74 41.9 1.25 Allowed Glycine 0 C--N 1.312 -0.751 0 N-CA-C 116.873 1.509 . . . . 25.0 116.873 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.19 17.56 18.31 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.665 1.221 . . . . 25.0 112.397 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.61 28.73 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.419 -1.995 0 C-N-CA 126.604 1.962 . . . . 50.0 113.111 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.0 t -80.54 145.85 31.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.538 0.685 . . . . 25.0 110.273 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.6 p -85.35 164.44 17.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.504 -1.295 . . . . 25.0 107.504 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.8 m -116.79 58.51 1.94 Allowed Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -74.83 -12.08 21.85 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 117.936 -0.909 . . . . 50.0 113.405 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -72.37 27.39 0.05 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.74 -1.118 . . . . 50.0 114.003 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.8 17.08 66.87 Favored Glycine 0 C--O 1.223 -0.593 0 N-CA-C 114.831 0.692 . . . . 25.0 114.831 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.6 -36.26 73.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 50.0 110.658 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -75.96 -23.07 55.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.04 -0.982 . . . . 25.0 109.918 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -124.3 76.96 61.35 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 113.791 1.034 . . . . 50.0 113.791 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -59.14 -32.01 96.44 Favored 'Trans proline' 0 C--O 1.214 -0.714 0 O-C-N 121.738 0.336 . . . . 50.0 112.917 174.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.1 85.57 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 25.0 110.733 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.27 -38.22 71.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.904 -0.406 . . . . 50.0 109.904 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.3 tp -67.08 -39.69 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.541 -0.299 . . . . 50.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -59.85 -45.55 92.07 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.543 -1.28 . . . . 50.0 107.543 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -44.31 91.98 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.231 -0.895 . . . . 50.0 112.08 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.8 -44.96 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.858 0.361 . . . . 50.0 110.626 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.413 -0.358 . . . . 50.0 111.733 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.06 -36.97 83.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 50.0 110.119 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.22 -16.18 56.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.707 -0.678 . . . . 25.0 112.519 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -106.14 102.54 40.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 50.0 112.299 -174.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.24 -27.44 48.43 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 N-CA-C 115.621 1.354 . . . . 50.0 115.621 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -75.93 -42.88 47.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.818 0.818 . . . . 25.0 111.014 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.59 -37.45 68.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.376 -0.829 . . . . 50.0 109.3 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.649 -0.657 . . . . 50.0 110.809 176.397 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.75 -40.11 61.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 25.0 111.63 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.15 -33.81 76.22 Favored 'General case' 0 CA--C 1.479 -1.765 0 CA-C-O 122.01 0.909 . . . . 50.0 108.845 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.87 -47.4 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.828 -1.078 . . . . 50.0 111.495 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.85 -26.19 64.09 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.843 0.682 . . . . 50.0 112.843 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -71.14 -51.69 23.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 50.0 110.277 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -101.01 -24.07 14.39 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 117.097 2.258 . . . . 50.0 117.097 -169.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -132.55 68.72 79.59 Favored Pre-proline 0 N--CA 1.477 0.884 0 N-CA-C 112.813 0.671 . . . . 50.0 112.813 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.54 -36.89 90.07 Favored 'Trans proline' 0 CA--C 1.551 1.331 0 N-CA-C 118.361 2.408 . . . . 50.0 118.361 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -69.56 -30.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 112.407 -4.595 . . . . 50.0 115.733 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -75.41 -31.21 60.33 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.801 -1.187 . . . . 50.0 108.354 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.42 69.61 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.614 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.39 69.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.678 0.672 . . . . 50.0 110.854 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.472 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -60.05 -46.37 89.77 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 115.816 -0.629 . . . . 25.0 112.636 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -65.94 -40.03 91.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.526 -0.761 . . . . 50.0 110.063 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.93 -33.68 76.25 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.268 0.556 . . . . 50.0 110.383 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -24.92 61.28 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.51 -0.768 . . . . 50.0 111.266 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.18 -15.1 46.46 Favored Glycine 0 C--O 1.235 0.187 0 CA-C-N 116.331 -0.395 . . . . 25.0 112.135 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -65.22 114.03 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 50.0 110.827 -179.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.73 -36.56 83.93 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.156 -0.683 . . . . 50.0 109.156 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -59.66 -52.06 67.11 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.908 -0.495 . . . . 50.0 110.808 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.472 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.8 -39.7 94.01 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 117.791 -1.1 . . . . 50.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.4 -50.67 73.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 119.124 0.874 . . . . 50.0 112.719 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.1 t -64.61 -38.42 90.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 118.624 0.647 . . . . 50.0 112.165 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -67.43 -45.09 77.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.57 -0.529 . . . . 50.0 109.57 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.51 -34.16 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.331 -0.989 . . . . 50.0 108.331 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.2 tp -56.87 -46.86 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.899 -0.5 . . . . 50.0 111.223 178.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.64 -35.06 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.328 -0.549 . . . . 50.0 110.972 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.5 -45.01 95.34 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.323 0.582 . . . . 50.0 109.779 174.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -64.75 -39.16 93.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.113 -0.494 . . . . 50.0 110.596 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -63.0 -41.81 99.67 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.697 -0.401 . . . . 50.0 110.491 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -64.07 -44.85 91.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.781 0.264 . . . . 50.0 111.387 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.75 -34.38 71.79 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.804 0.811 . . . . 50.0 111.042 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.9 mtp85 -65.2 -44.03 89.67 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 109.184 -0.673 . . . . 50.0 109.184 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.92 -36.48 65.27 Favored 'General case' 0 C--O 1.208 -1.083 0 O-C-N 122.908 0.13 . . . . 25.0 110.908 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -56.8 -49.11 76.33 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.948 0.721 . . . . 50.0 112.948 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -81.1 -29.16 34.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.901 0.858 . . . . 50.0 111.665 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.33 -34.18 70.31 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.48 -0.782 . . . . 50.0 110.24 -178.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -58.16 -36.91 73.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.96 0.104 . . . . 50.0 110.872 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.99 -40.33 96.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.413 0.625 . . . . 50.0 110.308 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -71.14 -44.49 65.45 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.888 0.699 . . . . 50.0 112.888 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -75.3 -18.46 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.91 -0.586 . . . . 50.0 112.303 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -10.56 0.85 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.933 1.457 . . . . 50.0 114.933 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.443 ' HG ' ' CD1' ' A' ' 79' ' ' PHE . 52.1 tp -101.68 130.59 48.07 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 107.936 -1.135 . . . . 50.0 107.936 174.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.443 ' CD1' ' HG ' ' A' ' 78' ' ' LEU . 47.7 m-85 54.46 -178.95 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.213 1.805 . . . . 50.0 114.66 -173.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t 63.68 103.69 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.287 1.035 . . . . 50.0 113.336 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.38 20.16 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.379 -0.601 . . . . 25.0 109.379 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -110.07 97.18 28.73 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.046 -0.979 . . . . 50.0 113.371 -165.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -83.26 161.0 15.24 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 117.601 -1.133 . . . . 50.0 111.846 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -135.12 11.19 3.57 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.675 0.75 . . . . 50.0 111.717 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -146.14 98.82 3.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.336 -1.727 . . . . 50.0 106.336 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.49 -37.85 59.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.306 -0.406 . . . . 50.0 110.819 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.77 -31.59 35.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.452 0.644 . . . . 50.0 110.298 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 53.84 20.94 2.52 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.513 1.671 . . . . 25.0 115.513 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -81.79 143.88 31.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.727 -0.472 . . . . 50.0 109.727 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.89 161.6 34.39 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt 62.36 172.6 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.935 1.294 . . . . 50.0 113.654 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.8 mt 65.02 93.37 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 123.301 1.524 . . . . 50.0 111.5 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -124.23 149.93 45.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.303 -1.771 . . . . 50.0 108.372 -176.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -89.09 127.2 35.7 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.182 1.178 . . . . 25.0 114.182 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -132.78 95.12 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.392 -1.336 . . . . 50.0 107.392 166.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mt -111.92 26.93 2.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.409 -1.33 . . . . 50.0 107.409 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 57.85 4.04 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.041 0.924 . . . . 50.0 110.982 -177.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 . . . . . 0 N--CA 1.482 1.155 0 C-N-CA 126.457 1.903 . . . . 25.0 113.918 177.73 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 124.399 2.047 . . . . 25.0 112.821 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -82.11 113.78 20.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 113.532 -1.667 . . . . 25.0 109.691 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -134.96 167.96 19.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -147.06 178.57 8.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -134.22 151.45 51.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -64.27 119.58 10.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.394 -0.225 . . . . 25.0 110.394 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.5 t -154.36 66.01 5.15 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.88 151.71 45.87 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 116.739 -1.707 . . . . 50.0 112.591 -176.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.17 24.07 0.28 Allowed Glycine 0 C--N 1.317 -0.477 0 CA-C-N 114.289 -1.323 . . . . 25.0 113.522 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -83.05 -1.34 52.47 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 123.512 1.625 . . . . 25.0 110.559 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.3 mm -84.73 66.2 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.921 0 CA-C-N 111.583 -2.553 . . . . 50.0 106.741 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.9 p -66.31 129.34 39.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.183 -0.917 . . . . 25.0 112.336 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -77.13 -8.0 56.76 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.9 m 44.37 60.7 11.99 Favored Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 115.377 1.621 . . . . 25.0 115.377 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -67.33 -31.63 34.62 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 115.943 -2.238 . . . . 50.0 114.088 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -75.14 -14.02 60.52 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.79 -0.569 . . . . 50.0 110.073 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.01 -16.99 80.29 Favored Glycine 0 C--O 1.224 -0.487 0 N-CA-C 110.61 -0.996 . . . . 25.0 110.61 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.32 -33.69 61.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.036 -0.727 . . . . 50.0 109.036 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.42 -30.51 37.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.417 1.103 . . . . 25.0 108.883 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -119.65 81.88 25.45 Favored Pre-proline 0 C--O 1.241 0.645 0 CA-C-N 115.106 -0.952 . . . . 50.0 112.276 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -59.55 -31.03 93.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 O-C-N 121.654 0.292 . . . . 50.0 112.801 175.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.7 97.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.302 -0.249 . . . . 25.0 111.575 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.93 -36.8 48.95 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.24 0.338 . . . . 50.0 110.456 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.06 -41.43 90.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.571 -0.451 . . . . 50.0 110.07 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -56.53 -43.42 79.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.341 -0.615 . . . . 50.0 109.341 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.24 -44.26 84.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.975 0.417 . . . . 50.0 111.597 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.32 -48.71 80.58 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.305 0.574 . . . . 50.0 110.618 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.565 -0.743 . . . . 50.0 112.471 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.69 -35.75 81.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.058 0.456 . . . . 50.0 110.267 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.56 -11.39 59.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.67 0.618 . . . . 25.0 112.67 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -115.92 100.33 53.43 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 113.15 0.796 . . . . 50.0 113.15 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.79 -25.62 53.22 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 N-CA-C 115.471 1.296 . . . . 50.0 115.471 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -76.19 -44.49 37.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.953 0.882 . . . . 25.0 110.685 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -35.19 69.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.318 -0.856 . . . . 50.0 110.258 -174.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -28.68 67.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.012 0.434 . . . . 50.0 110.11 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.9 t -74.7 -42.11 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 25.0 111.275 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.17 -31.17 71.4 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-O 121.942 0.877 . . . . 50.0 109.128 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.0 tp -66.39 -43.71 85.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 115.192 -0.913 . . . . 50.0 111.928 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -69.63 -26.24 64.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 119.961 -0.696 . . . . 50.0 111.999 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.16 -54.12 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.5 0.667 . . . . 50.0 110.878 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -89.56 -26.37 20.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.88 1.437 . . . . 50.0 114.88 -168.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.08 68.08 48.59 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 113.188 0.81 . . . . 50.0 113.188 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -55.19 -35.92 92.07 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 N-CA-C 117.982 2.262 . . . . 50.0 117.982 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.83 -29.11 29.11 Favored 'Trans proline' 0 C--N 1.363 1.309 1 C-N-CA 112.507 -4.529 . . . . 50.0 115.866 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 tp -75.34 -33.39 61.1 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.729 -1.232 . . . . 50.0 108.582 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.54 75.41 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.818 -0.628 . . . . 25.0 112.473 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.18 -31.51 69.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.728 0.695 . . . . 50.0 111.206 -177.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.16 -43.45 98.8 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-O 120.958 0.409 . . . . 25.0 111.837 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.9 -40.44 91.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.741 -0.663 . . . . 50.0 109.812 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.19 -30.83 71.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.154 0.502 . . . . 50.0 110.929 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -74.15 -24.74 59.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.669 . . . . 50.0 111.559 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.35 -13.64 57.13 Favored Glycine 0 C--O 1.235 0.167 0 CA-C-N 116.504 -0.316 . . . . 25.0 112.499 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -70.72 111.54 6.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.917 0.389 . . . . 50.0 110.984 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.01 -36.63 84.2 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.332 -0.618 . . . . 50.0 109.332 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.96 -51.6 68.99 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.855 -0.528 . . . . 50.0 110.791 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.4 ptmt -65.04 -35.98 82.89 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.245 -0.582 . . . . 50.0 109.605 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.3 -51.35 68.04 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 118.429 0.559 . . . . 50.0 112.334 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -63.11 -39.98 96.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.39 0.614 . . . . 50.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -66.05 -51.56 57.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.185 -0.461 . . . . 50.0 110.244 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.26 -29.54 46.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.076 -1.083 . . . . 50.0 108.076 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.5 tp -61.16 -47.59 85.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.301 -0.249 . . . . 50.0 111.023 176.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.7 -33.94 45.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.163 -0.615 . . . . 50.0 110.766 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.54 -42.17 99.36 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.235 -0.654 . . . . 50.0 109.235 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -64.75 -40.32 95.09 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.205 -0.31 . . . . 50.0 110.477 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -65.87 -36.85 84.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.894 -0.504 . . . . 50.0 111.243 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -64.68 -44.73 89.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 118.206 0.457 . . . . 50.0 110.252 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.7 -42.36 99.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.643 0.735 . . . . 50.0 110.465 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -61.9 -45.13 95.07 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.511 -0.551 . . . . 50.0 109.511 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.41 -33.66 69.9 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 119.766 -0.159 . . . . 25.0 111.349 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -56.59 -48.83 76.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.821 -0.549 . . . . 50.0 111.662 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -83.15 -35.5 25.49 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.934 0.716 . . . . 50.0 112.934 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -79.43 -27.75 41.7 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.673 1.36 . . . . 50.0 114.673 -173.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -58.14 -35.82 72.08 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 118.688 0.677 . . . . 50.0 109.475 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.85 -36.09 82.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.996 0.427 . . . . 50.0 111.275 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -71.34 -45.08 63.81 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.23 0.456 . . . . 50.0 112.23 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.3 pt -75.45 -18.36 15.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.032 0.382 . . . . 50.0 112.032 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -53.02 -15.89 0.92 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.495 1.665 . . . . 50.0 115.495 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.99 -30.5 69.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.287 0.565 . . . . 75.0 110.854 174.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -120.63 164.94 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.714 -0.676 . . . . 50.0 110.759 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -79.82 71.45 6.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.153 0.501 . . . . 50.0 110.774 175.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.16 45.44 1.28 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.267 0.556 . . . . 25.0 109.587 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -72.03 151.71 92.76 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.273 -0.876 . . . . 50.0 112.235 -174.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.42 171.37 17.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 N-CA-C 114.274 0.836 . . . . 50.0 114.274 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -110.9 16.87 21.02 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.801 -0.636 . . . . 50.0 110.253 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 t0 56.92 77.29 0.27 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 122.52 1.152 . . . . 50.0 113.565 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.86 -28.82 67.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.628 -0.714 . . . . 50.0 112.326 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.73 -23.47 53.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.61 0.719 . . . . 50.0 111.339 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.56 2.0 2.06 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.241 -1.345 . . . . 25.0 113.942 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.6 148.13 43.38 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.777 0.798 . . . . 50.0 112.587 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.37 145.02 46.22 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.52 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -110.99 163.22 14.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.105 -1.072 . . . . 50.0 108.105 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.54 162.3 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.971 0 N-CA-C 102.916 -2.994 . . . . 50.0 102.916 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -97.45 165.07 12.18 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.827 -0.624 . . . . 50.0 111.421 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -65.34 143.62 57.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.389 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.29 54.56 0.31 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.286 1.588 . . . . 50.0 115.286 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.2 mt 48.45 48.15 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 121.989 0.9 . . . . 50.0 111.815 176.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -76.99 56.23 1.2 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 122.132 0.968 . . . . 50.0 112.744 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.209 -1.059 0 C-N-CA 127.165 2.186 . . . . 25.0 113.823 -179.471 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 124.336 2.017 . . . . 25.0 113.886 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -131.9 156.9 45.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 113.318 -1.765 . . . . 25.0 107.238 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -133.11 -78.45 0.49 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -79.66 168.73 18.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -155.75 149.53 25.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 m -148.61 154.98 40.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.6 p -157.24 145.96 14.65 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.512 ' HD2' HD21 ' A' ' 31' ' ' ASN . 36.4 Cg_endo -84.02 -172.62 1.34 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 120.59 0.86 . . . . 50.0 110.876 175.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.18 28.39 16.14 Favored Glycine 0 C--O 1.218 -0.892 0 N-CA-C 112.057 -0.417 . . . . 25.0 112.057 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.483 ' C ' ' H ' ' A' ' 12' ' ' THR . 42.5 mt-10 -85.19 22.97 1.34 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.847 0.832 . . . . 25.0 112.906 -175.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -74.97 32.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 126.03 1.732 . . . . 50.0 111.187 172.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.483 ' H ' ' C ' ' A' ' 10' ' ' GLU . 63.3 p -117.08 -177.24 3.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.236 -0.893 . . . . 25.0 111.107 -175.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -66.4 162.27 20.8 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.992 -0.744 . . . . 25.0 108.992 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m 53.34 66.23 4.88 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 115.114 1.524 . . . . 25.0 115.114 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -72.22 -4.42 15.18 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.06 1.84 . . . . 50.0 115.313 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 71.59 -37.99 0.41 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.147 1.779 . . . . 50.0 113.571 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.59 3.25 6.46 Favored Glycine 0 C--O 1.222 -0.606 0 CA-C-O 120.987 0.215 . . . . 25.0 113.199 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.78 -26.48 68.65 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.577 -0.366 . . . . 50.0 110.922 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -94.12 -25.54 17.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 122.23 1.014 . . . . 25.0 109.474 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -114.75 83.81 9.56 Favored Pre-proline 0 C--O 1.24 0.578 0 CA-C-N 115.205 -0.907 . . . . 50.0 112.656 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -59.63 -31.41 94.31 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 118.489 -0.54 . . . . 50.0 113.035 176.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.9 99.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.189 -0.319 . . . . 25.0 111.569 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -76.46 -39.13 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 50.0 110.229 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.53 -40.02 88.92 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.616 -0.434 . . . . 50.0 110.602 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -56.81 -45.36 82.32 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.313 -0.625 . . . . 50.0 109.313 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.28 -44.33 83.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.894 0.378 . . . . 50.0 111.68 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -60.1 -49.85 76.03 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.43 0.633 . . . . 50.0 110.05 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.248 -0.887 . . . . 50.0 112.319 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.99 -35.75 81.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.99 0.424 . . . . 50.0 110.617 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.82 -13.04 60.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.795 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.512 HD21 ' HD2' ' A' ' 8' ' ' PRO . 35.3 t-20 -110.56 98.26 36.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.68 0.622 . . . . 50.0 112.68 -174.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.51 -28.36 53.65 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 N-CA-C 115.59 1.342 . . . . 50.0 115.59 -175.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -76.11 -42.39 47.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.553 -0.717 . . . . 25.0 110.946 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.04 -37.26 69.74 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.143 -0.688 . . . . 50.0 109.143 -175.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -30.33 70.86 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.614 -0.679 . . . . 50.0 110.603 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -76.84 -41.52 43.8 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.6 -31.01 70.76 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 122.439 1.114 . . . . 50.0 108.888 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.241 -0.891 . . . . 50.0 112.981 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.22 -29.79 68.7 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 120.086 -0.646 . . . . 50.0 111.739 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -53.36 12.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.578 0.704 . . . . 50.0 110.889 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -81.85 -36.01 28.72 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.435 1.272 . . . . 50.0 114.435 -175.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -134.88 68.78 71.31 Favored Pre-proline 0 C--O 1.242 0.671 0 N-CA-C 114.107 1.151 . . . . 50.0 114.107 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -53.87 -35.64 80.4 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.757 2.56 . . . . 50.0 118.757 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.83 -31.53 24.86 Favored 'Trans proline' 0 C--N 1.36 1.178 1 C-N-CA 112.785 -4.343 . . . . 50.0 115.663 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -75.57 -33.62 60.63 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.937 -1.102 . . . . 50.0 108.381 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -48.03 75.08 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.6 -31.42 69.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.038 0.835 . . . . 50.0 110.463 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.9 -44.71 96.24 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.525 175.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.07 -41.43 90.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.675 -0.693 . . . . 50.0 110.492 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.27 -29.29 70.65 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.272 0.558 . . . . 50.0 110.786 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -76.49 -23.2 53.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.709 -0.678 . . . . 50.0 111.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.16 -21.3 21.28 Favored Glycine 0 C--O 1.236 0.245 0 CA-C-N 116.597 -0.274 . . . . 25.0 112.781 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.19 117.62 5.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.183 0.516 . . . . 50.0 111.857 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.43 -37.63 83.31 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 109.565 -0.532 . . . . 50.0 109.565 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.39 -51.1 70.92 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.628 -0.429 . . . . 50.0 110.498 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.7 ptmt -65.17 -37.66 88.07 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.456 -0.783 . . . . 50.0 109.708 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -62.13 -51.27 68.55 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 118.731 0.696 . . . . 50.0 112.301 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 t -60.73 -39.53 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 50.0 111.531 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -49.77 69.21 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.48 -0.563 . . . . 50.0 109.48 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.93 -29.53 37.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.061 -0.718 . . . . 50.0 109.061 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.65 -45.5 91.82 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.85 -0.531 . . . . 50.0 110.903 177.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -76.05 -34.5 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.56 -0.456 . . . . 50.0 110.543 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.08 -38.74 89.96 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.673 -0.642 . . . . 50.0 110.475 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -64.12 -31.35 72.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.196 -0.315 . . . . 50.0 111.126 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -77.83 -35.65 50.98 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.71 -0.396 . . . . 50.0 110.231 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.86 -36.89 81.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.179 -0.326 . . . . 50.0 110.438 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.28 -39.91 84.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.346 0.594 . . . . 50.0 111.208 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -62.12 -32.86 73.49 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.965 -0.561 . . . . 50.0 110.59 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.14 -41.57 63.81 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.957 -0.465 . . . . 25.0 110.197 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -66.36 -46.17 77.66 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.76 1.022 . . . . 50.0 113.76 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.75 -26.49 68.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.743 0.783 . . . . 50.0 110.547 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -76.58 -33.77 58.46 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 119.359 -0.937 . . . . 50.0 111.037 177.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -59.99 -38.74 83.47 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 122.008 -0.433 . . . . 50.0 111.669 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -74.54 -32.28 62.4 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.789 -0.569 . . . . 50.0 111.168 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -67.2 -42.78 83.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.665 -0.647 . . . . 50.0 111.417 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.8 pt -76.63 -20.25 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.655 0.613 . . . . 50.0 112.655 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -80.2 -29.54 38.63 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 119.817 -0.753 . . . . 50.0 109.456 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.3 tt 63.1 -52.98 0.19 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.47 1.908 . . . . 50.0 115.072 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.25 113.15 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.419 -0.8 . . . . 50.0 110.075 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 m -140.8 142.78 34.63 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 104.902 -2.259 . . . . 50.0 104.902 175.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.77 15.51 16.4 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.91 151.33 48.67 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 113.495 -1.684 . . . . 50.0 107.525 -174.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.35 159.71 43.08 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 116.751 -1.7 . . . . 50.0 110.782 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -102.08 6.97 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.015 0.912 . . . . 50.0 111.549 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -160.75 105.88 1.42 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.503 -1.226 . . . . 50.0 108.314 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.52 -34.56 58.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.005 0.743 . . . . 50.0 113.005 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.57 -39.6 18.56 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.854 0.359 . . . . 50.0 111.82 -177.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.15 36.89 16.81 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.517 1.127 . . . . 25.0 113.823 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -88.66 151.71 22.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.522 0.677 . . . . 50.0 111.764 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.32 169.36 13.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.748 -0.66 . . . . 25.0 110.939 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -130.16 170.53 13.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.987 -1.857 . . . . 50.0 105.987 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.9 mt -132.5 123.8 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 105.031 -2.211 . . . . 50.0 105.031 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -90.54 159.1 16.66 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.648 0.593 . . . . 50.0 111.486 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -141.56 157.98 44.42 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.528 0.331 . . . . 25.0 110.84 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -129.49 71.45 1.44 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.4 1.095 . . . . 50.0 108.161 168.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 pt -90.54 36.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.197 -0.91 . . . . 50.0 110.058 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -83.15 61.99 6.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.598 1.189 . . . . 50.0 111.326 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.482 1.135 0 C-N-CA 126.395 1.878 . . . . 25.0 114.374 178.759 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 122.244 1.021 . . . . 25.0 113.649 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.67 29.83 7.62 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 176.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 58.45 23.7 10.97 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.131 -0.94 . . . . 25.0 112.236 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 t -72.79 152.93 41.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.575 -0.738 . . . . 25.0 109.644 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -60.65 -23.31 64.69 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.495 0.664 . . . . 25.0 110.823 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -131.61 115.69 16.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 106.621 -1.622 . . . . 25.0 106.621 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -120.87 96.68 48.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 112.092 0.404 . . . . 25.0 112.092 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.69 175.29 10.45 Favored 'Trans proline' 0 C--N 1.345 0.394 0 N-CA-C 110.452 -0.634 . . . . 50.0 110.452 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.425 ' C ' ' H ' ' A' ' 11' ' ' ILE . . . 116.53 28.08 2.65 Favored Glycine 0 C--N 1.324 -0.129 0 N-CA-C 110.242 -1.143 . . . . 25.0 110.242 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -71.23 27.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 125.144 1.378 . . . . 25.0 114.36 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.425 ' H ' ' C ' ' A' ' 9' ' ' GLY . 50.0 mt -84.03 -13.44 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-O 123.895 1.807 . . . . 50.0 107.026 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -146.9 160.8 41.87 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 112.065 -2.334 . . . . 25.0 107.616 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m -101.26 134.63 44.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.709 -0.223 . . . . 25.0 110.667 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.8 p 40.32 65.18 4.14 Favored Pre-proline 0 N--CA 1.476 0.831 0 N-CA-C 115.375 1.621 . . . . 25.0 115.375 176.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.46 -41.22 21.03 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 116.371 -1.953 . . . . 50.0 114.174 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -72.98 -15.03 61.55 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.612 -0.68 . . . . 50.0 110.522 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.93 -20.32 79.86 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.941 -0.647 . . . . 25.0 111.927 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.57 -42.05 83.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.5 . . . . 50.0 110.399 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.66 -28.25 28.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.918 0.866 . . . . 25.0 109.997 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -114.89 83.77 9.76 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 113.231 0.826 . . . . 50.0 113.231 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -62.09 -30.36 82.43 Favored 'Trans proline' 0 C--O 1.214 -0.716 0 C-N-CA 117.798 -1.002 . . . . 50.0 111.505 172.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.0 99.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.0 -34.44 50.78 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.059 -0.349 . . . . 50.0 110.059 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.5 tp -68.53 -41.72 79.5 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.563 -0.455 . . . . 50.0 110.335 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -44.46 79.65 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.321 -0.622 . . . . 50.0 109.321 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.63 -45.91 88.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.962 0.41 . . . . 50.0 111.772 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -60.44 -49.57 77.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.267 0.556 . . . . 50.0 110.682 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.78 -43.32 98.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.511 -0.768 . . . . 50.0 111.985 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.9 -35.62 81.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.954 0.406 . . . . 50.0 110.693 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.81 59.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 25.0 112.31 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.93 100.16 53.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 50.0 112.564 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.18 -25.59 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.44 1.285 . . . . 50.0 115.44 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.56 -42.2 43.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.441 0.639 . . . . 25.0 110.97 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.26 -38.31 66.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.453 0.644 . . . . 50.0 109.424 -175.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -29.42 70.37 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.762 -0.586 . . . . 50.0 110.097 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 t -74.68 -41.43 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.822 0.449 . . . . 25.0 111.623 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.94 -31.17 70.73 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-O 122.016 0.912 . . . . 50.0 108.936 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.33 -44.52 83.12 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 115.063 -0.971 . . . . 50.0 111.936 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -70.45 -26.17 63.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 120.133 -0.627 . . . . 50.0 112.35 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.31 -51.98 26.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.167 0.508 . . . . 50.0 110.409 175.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -93.75 -29.66 15.27 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.269 1.951 . . . . 50.0 116.269 -171.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -135.45 69.79 67.55 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 113.674 0.99 . . . . 50.0 113.674 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.27 -37.1 88.25 Favored 'Trans proline' 0 CA--C 1.55 1.319 0 N-CA-C 118.576 2.491 . . . . 50.0 118.576 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.65 -30.34 28.28 Favored 'Trans proline' 0 C--N 1.361 1.233 1 C-N-CA 112.855 -4.297 . . . . 50.0 115.857 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.61 -33.42 60.53 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.862 -1.149 . . . . 50.0 108.495 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -49.33 71.34 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.64 -0.709 . . . . 25.0 112.172 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.4 -31.44 70.38 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.587 0.631 . . . . 50.0 111.266 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.25 -44.21 97.62 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-O 120.821 0.343 . . . . 25.0 111.229 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 tp -66.21 -40.78 90.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.059 -0.518 . . . . 50.0 110.647 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.54 -30.48 71.5 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.166 0.508 . . . . 50.0 110.785 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.404 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 49.7 m -74.76 -26.46 59.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.672 -0.694 . . . . 50.0 111.375 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.2 -21.89 39.76 Favored Glycine 0 C--O 1.229 -0.164 0 N-CA-C 113.891 0.316 . . . . 25.0 113.891 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -66.1 121.29 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.345 0.593 . . . . 50.0 111.02 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -66.08 -40.22 90.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.448 -0.501 . . . . 75.0 110.225 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.96 -30.23 70.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.321 0.581 . . . . 50.0 110.282 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 16.7 ptmt -78.48 -35.78 46.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.817 -0.753 . . . . 50.0 109.018 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.95 -46.66 83.7 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 123.094 0.246 . . . . 50.0 110.473 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -65.18 -37.87 88.73 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 122.886 0.474 . . . . 50.0 111.64 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.6 -50.44 67.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.727 -0.472 . . . . 50.0 109.727 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.87 -29.7 41.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.803 -0.814 . . . . 50.0 108.803 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.18 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.856 -0.528 . . . . 50.0 111.16 178.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.01 -34.8 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.475 -0.49 . . . . 50.0 110.297 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -62.93 -42.51 99.83 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.785 -0.572 . . . . 50.0 110.884 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -60.61 -41.46 94.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.99 -0.374 . . . . 50.0 109.99 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -67.58 -37.3 82.4 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.702 -0.399 . . . . 50.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -68.84 -38.29 79.72 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.152 0.427 . . . . 50.0 112.152 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -67.2 -37.43 83.65 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.583 -0.698 . . . . 50.0 109.986 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -61.65 -49.92 74.6 Favored 'General case' 0 C--O 1.208 -1.093 0 N-CA-C 107.529 -1.285 . . . . 50.0 107.529 175.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.03 71.35 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.12 -0.363 . . . . 25.0 111.756 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -67.03 -40.7 87.26 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.897 -0.502 . . . . 50.0 111.616 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -81.16 -30.2 34.48 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.427 0.529 . . . . 50.0 112.427 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.03 -31.87 73.02 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.393 -0.965 . . . . 50.0 108.393 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -56.41 -35.55 67.93 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.011 0.434 . . . . 50.0 112.02 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.2 -36.39 61.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.429 0.633 . . . . 50.0 109.909 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -71.3 -39.41 71.48 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.685 0.995 . . . . 50.0 113.685 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.1 pt -64.12 -18.79 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 118.738 0.699 . . . . 50.0 111.676 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 -70.32 -9.92 57.51 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.713 0.634 . . . . 50.0 112.713 175.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.0 tt -133.45 -46.7 0.82 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.188 0.44 . . . . 50.0 112.188 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -101.44 149.08 24.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.636 0.374 . . . . 50.0 111.135 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.8 p -74.69 100.81 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.911 -0.774 . . . . 50.0 108.911 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.19 36.73 1.12 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.303 -1.74 . . . . 25.0 106.303 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -69.88 143.02 91.47 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.222 -1.353 . . . . 50.0 111.239 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.43 160.71 25.66 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 118.508 -0.528 . . . . 50.0 112.804 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -116.11 19.11 15.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.419 0.628 . . . . 50.0 109.985 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -144.54 110.72 5.49 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 104.987 -2.227 . . . . 50.0 104.987 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -77.37 -35.01 54.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.459 -0.791 . . . . 50.0 113.086 -175.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -85.03 -39.47 17.99 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.965 -0.294 . . . . 50.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 62.84 5.34 1.74 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.63 1.715 . . . . 25.0 115.63 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.33 -144.53 0.46 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.606 0.763 . . . . 50.0 112.992 174.221 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 53.15 94.27 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -94.79 168.25 10.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.37 -1.741 . . . . 50.0 111.095 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 87.2 mt -125.56 123.09 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 105.661 -1.977 . . . . 50.0 105.661 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -101.61 161.93 13.28 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.45 -1.315 . . . . 50.0 107.45 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -118.61 161.7 19.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.643 0.259 . . . . 25.0 110.924 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.8 t0 50.03 38.11 15.78 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 122.316 1.055 . . . . 50.0 112.529 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 pt -83.45 70.89 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.673 0 CA-C-O 122.969 1.366 . . . . 50.0 111.56 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 66.05 21.5 11.23 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 112.446 -2.161 . . . . 50.0 111.339 174.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 C--O 1.214 -0.8 0 CA-C-O 125.388 2.518 . . . . 25.0 112.747 179.3 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 124.791 2.234 . . . . 25.0 113.365 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -66.33 -28.36 68.61 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 112.686 -2.052 . . . . 25.0 110.066 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -95.8 6.22 49.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.668 -0.697 . . . . 25.0 111.217 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 t -137.31 25.19 2.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -173.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -134.65 132.25 38.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.901 -0.5 . . . . 25.0 111.711 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -156.03 34.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.0 m -143.88 75.47 15.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 114.728 1.381 . . . . 25.0 114.728 -171.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.88 168.29 25.15 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 118.482 -0.545 . . . . 50.0 110.72 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.44 43.25 0.1 OUTLIER Glycine 0 C--N 1.317 -0.48 0 C-N-CA 120.927 -0.654 . . . . 25.0 114.1 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -84.92 22.77 1.31 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.545 1.164 . . . . 25.0 113.484 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -77.98 11.1 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.241 0 C-N-CA 125.573 1.549 . . . . 50.0 112.659 -179.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.2 p -80.33 -15.65 56.41 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.594 -1.184 . . . . 25.0 111.592 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 p 65.21 171.52 0.21 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.147 1.379 . . . . 25.0 111.468 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.1 t -140.05 83.72 15.72 Favored Pre-proline 0 C--O 1.242 0.708 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -66.7 -8.64 21.81 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 121.732 1.622 . . . . 50.0 113.254 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -65.64 -2.68 3.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.036 -1.438 . . . . 50.0 112.359 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.18 -2.76 47.33 Favored Glycine 0 C--O 1.223 -0.549 0 N-CA-C 114.449 0.54 . . . . 25.0 114.449 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.52 -30.68 53.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.578 0.689 . . . . 50.0 109.241 178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -78.99 -24.7 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.645 1.212 . . . . 25.0 108.548 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -124.16 75.26 59.56 Favored Pre-proline 0 N--CA 1.446 -0.661 0 CA-C-N 114.718 -1.128 . . . . 50.0 112.529 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -60.0 -29.88 90.33 Favored 'Trans proline' 0 C--O 1.212 -0.811 0 O-C-N 121.923 0.433 . . . . 50.0 112.232 175.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.7 93.02 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.297 -0.252 . . . . 25.0 110.654 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.9 mt -73.19 -38.42 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 50.0 110.293 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.32 -39.9 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.974 -0.291 . . . . 50.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -59.18 -44.69 92.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.159 -1.052 . . . . 50.0 108.159 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -44.82 91.38 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.751 -0.659 . . . . 50.0 112.067 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.9 ttp -61.93 -44.23 97.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.845 0.355 . . . . 50.0 110.796 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.0 -42.22 94.69 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.587 -0.279 . . . . 50.0 111.712 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.2 -37.56 85.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.28 0.562 . . . . 50.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.56 -16.0 57.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.554 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -110.12 103.6 54.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 112.946 0.721 . . . . 50.0 112.946 -173.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.46 -26.71 47.3 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.684 1.379 . . . . 50.0 115.684 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -76.01 -42.46 47.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.961 0.886 . . . . 25.0 110.438 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -36.07 65.32 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.276 -0.875 . . . . 50.0 110.004 -174.017 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -30.3 70.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.132 0.492 . . . . 75.0 109.778 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -74.51 -41.79 60.04 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 116.13 -0.486 . . . . 25.0 110.444 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.91 -33.73 76.71 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 121.369 -0.832 . . . . 50.0 108.915 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.28 -44.02 89.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.211 -0.904 . . . . 50.0 112.427 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -68.77 -29.19 67.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 120.3 -0.56 . . . . 50.0 111.93 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -74.79 -49.54 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.186 0.517 . . . . 50.0 111.278 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -89.98 -27.98 19.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 116.26 1.948 . . . . 50.0 116.26 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.06 70.29 48.99 Favored Pre-proline 0 N--CA 1.477 0.914 0 N-CA-C 113.719 1.007 . . . . 50.0 113.719 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.59 -37.8 83.47 Favored 'Trans proline' 0 CA--C 1.553 1.458 0 N-CA-C 119.079 2.684 . . . . 50.0 119.079 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.19 -32.71 20.36 Favored 'Trans proline' 0 C--N 1.359 1.122 1 C-N-CA 112.728 -4.381 . . . . 50.0 115.454 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.1 tp -75.29 -30.31 60.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.981 -1.118 . . . . 50.0 107.981 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.74 -49.48 70.65 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 118.601 -0.714 . . . . 25.0 112.645 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -31.74 72.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.201 0.909 . . . . 50.0 110.601 -175.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.524 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.38 -45.65 87.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.109 -0.951 . . . . 25.0 111.603 172.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.504 -0.771 . . . . 75.0 110.658 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.9 mt -63.22 -32.36 73.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.236 0.541 . . . . 50.0 110.708 -173.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -70.18 -24.58 63.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.473 -0.785 . . . . 50.0 112.193 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.61 -15.48 46.32 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.397 -0.365 . . . . 25.0 112.695 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 44.7 t0 -65.62 116.09 6.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 50.0 110.558 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.4 -36.54 81.49 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.528 -0.545 . . . . 50.0 109.528 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.36 -53.08 62.27 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.964 -0.46 . . . . 50.0 110.83 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.524 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.8 ptmt -64.47 -36.99 85.99 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 109.704 -0.48 . . . . 50.0 109.704 177.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -61.35 -51.8 67.29 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.714 -0.616 . . . . 50.0 111.224 178.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -65.08 -38.51 90.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.677 0.621 . . . . 50.0 112.677 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HE ' ' CD ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -61.06 -46.69 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.461 -0.57 . . . . 50.0 109.461 179.821 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.77 -34.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.121 -0.631 . . . . 50.0 109.38 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.79 -44.8 86.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.854 -0.529 . . . . 50.0 111.045 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 p -74.73 -36.42 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.482 -0.487 . . . . 50.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.406 ' CD ' ' HE ' ' A' ' 59' ' ' ARG . 58.6 mt-10 -61.95 -42.19 98.84 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.517 -0.739 . . . . 50.0 111.251 176.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -61.32 -38.58 87.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.721 -0.474 . . . . 50.0 109.721 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -69.58 -37.47 76.98 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.585 0.217 . . . . 50.0 111.585 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -65.9 -43.23 88.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.021 -0.424 . . . . 50.0 110.62 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -69.24 -35.35 76.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.388 0.613 . . . . 50.0 110.248 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -57.35 -50.2 73.71 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.641 -0.874 . . . . 50.0 108.641 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.19 91.1 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.432 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptt85 -68.36 -40.21 81.55 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 122.096 -0.377 . . . . 50.0 112.0 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -79.82 -33.39 40.38 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.774 0.797 . . . . 50.0 112.064 -178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -72.63 -30.73 64.56 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 121.72 -0.612 . . . . 50.0 110.298 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -55.35 -34.58 64.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.853 0.316 . . . . 50.0 111.853 171.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.43 -34.56 70.41 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 121.159 0.504 . . . . 50.0 109.962 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -69.49 -36.11 76.2 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 113.503 0.927 . . . . 50.0 113.503 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.358 29.5 pt -68.4 -16.94 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.364 0.665 . . . . 50.0 112.368 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -54.38 -20.69 7.83 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.798 -0.564 . . . . 50.0 110.886 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.5 tp 54.53 -130.5 2.09 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.984 -1.117 . . . . 50.0 107.984 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.68 164.54 38.03 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.148 -1.427 . . . . 50.0 107.148 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 m 94.03 100.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 127.452 2.301 . . . . 50.0 109.258 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 63.14 19.75 11.86 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.553 1.141 . . . . 25.0 111.513 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -73.47 144.64 84.05 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 114.636 -1.165 . . . . 50.0 108.458 175.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -78.65 154.95 27.34 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 117.523 -1.185 . . . . 50.0 111.593 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -113.8 30.71 7.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.263 0.838 . . . . 50.0 113.263 -172.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.2 43.73 0.54 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.674 0.749 . . . . 50.0 110.041 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.8 mt -68.74 -22.87 64.29 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.182 -0.673 . . . . 50.0 109.182 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -70.12 -23.62 63.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 50.0 111.418 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.16 -1.01 42.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.987 0.736 . . . . 25.0 112.987 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -65.96 139.63 58.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.828 0.823 . . . . 50.0 111.102 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.37 140.01 57.2 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.006 -0.543 . . . . 25.0 109.627 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.03 144.44 51.46 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.172 -0.467 . . . . 50.0 109.751 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.5 mt -142.45 119.62 6.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 102.781 -3.044 . . . . 50.0 102.781 174.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -142.33 149.84 39.98 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 107.105 -1.443 . . . . 50.0 107.105 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -141.02 148.48 40.33 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 -176.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -147.99 102.64 3.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.516 -0.92 . . . . 50.0 108.516 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.3 pt -112.05 22.76 5.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.042 -0.981 . . . . 50.0 109.794 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -82.55 61.46 5.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 122.312 1.053 . . . . 50.0 111.853 -176.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 125.667 1.587 . . . . 25.0 114.428 178.079 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.207 -1.182 0 CA-C-O 123.526 1.631 . . . . 25.0 114.653 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -73.12 -16.53 61.45 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.827 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -137.9 153.47 49.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.1 t -147.19 -54.86 0.23 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.9 m80 68.73 159.62 0.17 Allowed 'General case' 0 N--CA 1.477 0.919 0 O-C-N 125.165 1.541 . . . . 25.0 108.225 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -149.16 149.89 31.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.238 0.472 . . . . 25.0 111.744 -174.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.2 m -157.14 83.65 3.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 C-N-CA 123.238 0.615 . . . . 25.0 110.083 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -76.67 173.78 13.92 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 120.164 0.576 . . . . 50.0 112.355 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.23 35.73 3.56 Favored Glycine 0 C--O 1.229 -0.199 0 CA-C-N 116.059 -0.519 . . . . 25.0 113.031 175.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.96 36.61 0.08 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.72 1.007 . . . . 25.0 113.72 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -76.99 -9.99 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-O 123.54 1.638 . . . . 50.0 110.431 -175.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 p -64.84 -25.88 68.09 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 111.993 -2.367 . . . . 25.0 110.175 175.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m 51.42 -144.8 0.55 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.206 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 t 37.79 65.46 2.72 Favored Pre-proline 0 N--CA 1.476 0.827 0 N-CA-C 116.264 1.95 . . . . 25.0 116.264 177.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.58 -7.1 20.54 Favored 'Trans proline' 0 C--N 1.348 0.546 0 CA-C-O 121.554 0.564 . . . . 50.0 113.407 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 71.76 -43.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 126.578 1.951 . . . . 50.0 112.68 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.84 18.35 9.35 Favored Glycine 0 C--O 1.22 -0.767 0 C-N-CA 121.599 -0.334 . . . . 25.0 113.27 175.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.2 -32.46 69.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.651 0.726 . . . . 50.0 111.454 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -90.02 -25.71 20.69 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.161 0.981 . . . . 25.0 110.012 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -113.49 85.72 9.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.247 -0.888 . . . . 50.0 112.699 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -59.51 -30.98 93.85 Favored 'Trans proline' 0 C--O 1.217 -0.557 0 C-N-CA 118.367 -0.622 . . . . 50.0 113.114 176.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.87 91.68 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.151 -0.343 . . . . 25.0 110.832 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.8 -37.66 64.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.416 -0.356 . . . . 50.0 110.094 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.72 -41.33 88.09 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.83 -0.348 . . . . 50.0 110.435 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.57 -46.22 87.38 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.564 -0.902 . . . . 50.0 108.564 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -44.34 93.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.935 -0.575 . . . . 50.0 111.94 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.2 ttp -62.98 -43.72 98.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 120.69 0.281 . . . . 50.0 110.832 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.96 -40.25 96.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.921 0.341 . . . . 50.0 111.921 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.29 -35.62 79.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.18 0.514 . . . . 50.0 109.868 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.03 -9.85 58.32 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -113.43 101.73 53.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.75 0.648 . . . . 50.0 112.75 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.44 -24.94 48.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 N-CA-C 115.412 1.274 . . . . 50.0 115.412 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -76.11 -42.41 47.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.925 0.869 . . . . 25.0 110.97 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.05 -37.35 61.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.205 -0.907 . . . . 50.0 108.927 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -30.37 70.16 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.755 -0.591 . . . . 50.0 110.171 177.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -70.67 -45.53 64.91 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.251 0.62 . . . . 25.0 110.711 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.15 -33.77 76.53 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 121.518 -0.739 . . . . 50.0 109.515 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -65.16 -43.89 90.3 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.366 -0.834 . . . . 50.0 113.05 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.35 -26.22 64.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 120.154 -0.618 . . . . 50.0 111.885 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.19 -51.81 9.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.177 0.513 . . . . 50.0 112.296 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -84.46 -31.02 24.79 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.36 0.874 . . . . 50.0 113.36 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -136.1 68.99 63.62 Favored Pre-proline 0 C--O 1.242 0.682 0 N-CA-C 114.473 1.286 . . . . 50.0 114.473 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.68 -36.14 89.1 Favored 'Trans proline' 0 CA--C 1.553 1.448 0 N-CA-C 118.208 2.349 . . . . 50.0 118.208 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.53 -30.15 23.82 Favored 'Trans proline' 0 C--N 1.362 1.287 1 C-N-CA 112.277 -4.682 . . . . 50.0 115.784 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -75.43 -30.93 60.19 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.795 -1.191 . . . . 50.0 108.45 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.36 71.52 Favored 'General case' 0 C--O 1.21 -0.997 0 C-N-CA 119.977 -0.689 . . . . 25.0 112.169 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -31.95 70.71 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.981 0.81 . . . . 50.0 111.843 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.97 -44.2 91.48 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 123.491 0.716 . . . . 25.0 111.777 173.044 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.16 -43.78 85.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.938 -0.573 . . . . 50.0 110.366 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 50.0 111.223 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -72.15 -23.8 61.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.767 -0.651 . . . . 50.0 112.113 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.7 -19.8 22.68 Favored Glycine 0 C--O 1.238 0.395 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.344 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 45.0 t0 -63.24 114.58 3.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.428 . . . . 50.0 111.357 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.98 -36.24 81.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.4 -0.593 . . . . 50.0 109.4 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.47 -52.12 66.96 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.668 -0.413 . . . . 50.0 110.287 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.2 ptmt -65.44 -38.35 89.61 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 120.182 -0.607 . . . . 50.0 110.079 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.22 -51.97 67.68 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 118.845 0.748 . . . . 50.0 111.784 177.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.9 t -64.01 -40.14 95.67 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.913 0.708 . . . . 50.0 112.913 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -44.82 96.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.046 -0.353 . . . . 50.0 110.046 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.94 -34.3 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.363 -0.606 . . . . 50.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.9 tp -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.834 -0.541 . . . . 50.0 110.987 179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.34 -35.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.363 -0.535 . . . . 50.0 111.172 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.07 -40.78 98.69 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.648 -0.657 . . . . 50.0 110.741 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -67.63 -36.92 81.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.572 -0.285 . . . . 50.0 110.782 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -65.12 -38.11 89.62 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.43 -0.508 . . . . 50.0 109.864 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -64.74 -40.57 95.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.216 -0.302 . . . . 50.0 111.623 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.6 -39.66 77.13 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.595 -0.691 . . . . 50.0 111.338 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -60.02 -41.4 92.1 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.393 -0.966 . . . . 50.0 108.393 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.72 -34.68 78.38 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 112.971 0.73 . . . . 25.0 112.971 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -36.93 69.33 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.426 -0.796 . . . . 50.0 109.97 -177.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -78.2 -26.46 47.52 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 121.187 0.518 . . . . 50.0 110.702 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.5 -36.65 61.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.318 -0.401 . . . . 50.0 110.097 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -57.8 -43.53 85.7 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.67 0.989 . . . . 50.0 113.67 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -75.25 -31.53 60.83 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.968 -0.458 . . . . 50.0 110.304 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -71.28 -43.58 66.88 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.63 0.974 . . . . 50.0 113.63 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.3 pt -69.76 -18.74 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 120.995 0.426 . . . . 50.0 110.999 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -64.61 -17.55 64.1 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.053 1.131 . . . . 50.0 114.053 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.51 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 21.8 tp 58.84 -170.55 0.12 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.101 0.96 . . . . 50.0 110.188 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.51 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 47.4 m-85 62.46 -32.51 0.1 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 120.057 3.355 . . . . 50.0 120.057 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m -139.25 24.24 2.52 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.949 -1.13 . . . . 50.0 107.949 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.71 49.76 1.84 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.246 -1.343 . . . . 25.0 109.895 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -65.43 154.03 88.75 Favored Pre-proline 0 C--O 1.244 0.764 0 N-CA-C 109.016 -0.735 . . . . 50.0 109.016 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -70.99 159.48 52.37 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 118.038 -0.841 . . . . 50.0 111.638 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -124.03 11.37 8.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.766 0.793 . . . . 50.0 110.31 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -155.17 121.81 5.35 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 104.397 -2.445 . . . . 50.0 104.397 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -79.99 -38.14 32.76 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.576 0.584 . . . . 50.0 112.576 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -80.96 -34.42 33.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.026 0.75 . . . . 50.0 113.026 -175.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.61 34.64 0.14 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -107.11 153.31 22.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.103 0.477 . . . . 50.0 111.371 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -149.5 172.73 14.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -68.4 153.61 43.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.167 -0.679 . . . . 50.0 109.167 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.1 mt -89.77 90.99 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 105.577 -2.009 . . . . 50.0 105.577 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -139.6 157.72 45.32 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 106.94 -1.504 . . . . 50.0 106.94 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.25 166.35 30.19 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.43 0.292 . . . . 25.0 110.765 -174.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -149.7 64.8 0.99 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.28 -0.637 . . . . 50.0 109.28 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.7 pt -78.12 43.77 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-O 122.046 0.927 . . . . 50.0 113.32 -176.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -67.77 12.5 0.1 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.556 2.058 . . . . 50.0 116.556 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 C--O 1.209 -1.031 0 CA-C-O 124.149 1.928 . . . . 25.0 111.024 177.857 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 124.09 1.9 . . . . 25.0 114.389 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -69.52 137.34 52.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.199 -1.364 . . . . 25.0 110.263 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -75.36 163.57 27.31 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.41 0.624 . . . . 25.0 111.76 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 m -89.94 8.75 30.71 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 115.087 1.514 . . . . 25.0 115.087 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.2 m80 56.56 42.91 26.58 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.969 0.89 . . . . 25.0 109.963 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 m -140.02 172.57 12.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.788 -1.189 . . . . 25.0 107.788 -175.671 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 m -111.49 78.85 2.09 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-O 120.645 0.259 . . . . 25.0 111.354 176.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -77.64 84.17 2.03 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 N-CA-C 113.873 0.682 . . . . 50.0 113.873 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.19 -64.62 0.26 Allowed Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.645 -0.707 . . . . 25.0 114.185 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -85.77 27.68 0.84 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 115.132 1.53 . . . . 25.0 115.132 -173.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -0.24 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.196 0 CA-C-O 122.337 1.065 . . . . 50.0 111.458 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.7 p -94.11 76.8 4.06 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.797 -1.092 . . . . 25.0 113.13 -175.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -152.76 153.13 32.57 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.485 -1.302 . . . . 25.0 107.485 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 m 30.92 70.88 0.62 Allowed Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 116.318 1.969 . . . . 25.0 116.318 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -70.74 -4.82 15.46 Favored 'Trans proline' 0 CA--C 1.506 -0.88 0 C-N-CA 121.14 1.227 . . . . 50.0 114.999 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 69.41 -37.47 0.37 Allowed 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 126.442 1.897 . . . . 50.0 112.996 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.47 17.62 6.37 Favored Glycine 0 C--O 1.219 -0.815 0 O-C-N 122.22 -0.3 . . . . 25.0 112.95 172.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.75 -33.92 76.7 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 122.342 -0.505 . . . . 50.0 111.612 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -93.68 -22.86 18.49 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -115.53 79.21 7.05 Favored Pre-proline 0 C--O 1.245 0.855 0 CA-C-N 114.844 -1.071 . . . . 50.0 111.278 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -64.27 -22.92 66.38 Favored 'Trans proline' 0 C--O 1.21 -0.922 0 C-N-CA 118.175 -0.75 . . . . 50.0 111.698 175.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.39 90.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.501 0.667 . . . . 25.0 110.717 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.65 -42.29 61.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.895 -1.048 . . . . 75.0 110.349 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.05 -38.66 86.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.253 -0.43 . . . . 50.0 110.643 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -58.13 -44.8 87.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.327 -0.62 . . . . 50.0 109.327 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.0 -46.83 76.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.07 -0.514 . . . . 50.0 110.795 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.6 ttp -60.58 -42.54 96.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.472 -0.331 . . . . 50.0 111.125 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -65.45 -43.75 89.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.962 0.356 . . . . 50.0 111.962 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.5 -36.08 82.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.746 0.308 . . . . 50.0 110.378 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.57 -15.94 59.73 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.633 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -109.36 102.56 49.88 Favored Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 112.631 0.604 . . . . 50.0 112.631 -174.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.39 -25.14 49.15 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 N-CA-C 115.988 1.495 . . . . 50.0 115.988 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -78.0 -41.95 34.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.864 0.84 . . . . 25.0 110.908 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -71.13 -37.01 72.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.034 -0.985 . . . . 50.0 109.648 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.98 67.43 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.008 -0.433 . . . . 50.0 110.154 177.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.8 m -74.41 -42.43 59.22 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.489 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.97 -30.37 70.48 Favored 'General case' 0 CA--C 1.484 -1.56 0 C-N-CA 119.319 -0.953 . . . . 50.0 108.733 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -68.96 -43.26 75.36 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.456 -0.793 . . . . 50.0 112.577 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.73 -28.55 66.92 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 119.804 -0.759 . . . . 50.0 111.607 175.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.64 -52.1 14.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.315 0.579 . . . . 50.0 111.961 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -85.96 -28.49 24.22 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.35 1.241 . . . . 50.0 114.35 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -138.36 70.1 46.89 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 113.473 0.916 . . . . 50.0 113.473 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.43 -37.27 89.48 Favored 'Trans proline' 0 CA--C 1.551 1.35 0 N-CA-C 117.801 2.193 . . . . 50.0 117.801 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.7 -29.25 29.73 Favored 'Trans proline' 0 C--N 1.36 1.159 1 C-N-CA 112.261 -4.693 . . . . 50.0 116.252 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.9 tp -75.3 -35.56 61.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.796 -1.19 . . . . 50.0 108.503 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.61 80.0 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.53 -30.84 70.01 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.026 0.83 . . . . 50.0 110.362 -176.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.427 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -66.41 -38.77 88.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.459 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -66.84 -44.97 79.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.935 -0.575 . . . . 50.0 110.393 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.24 -28.62 69.86 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.185 0.517 . . . . 50.0 112.273 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -74.12 -17.81 60.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.525 -0.761 . . . . 50.0 112.163 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.54 -30.27 4.19 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.356 -0.449 . . . . 25.0 113.713 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.23 110.35 0.93 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.51 0.672 . . . . 50.0 112.53 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.04 -33.9 76.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.739 -1.208 . . . . 50.0 107.739 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -51.14 -56.29 13.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 50.0 110.867 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.427 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.4 ptmt -73.36 -33.77 65.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.747 -0.66 . . . . 50.0 111.407 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.11 -50.9 71.88 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.471 -0.492 . . . . 50.0 110.375 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 t -61.36 -40.49 94.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.171 0.51 . . . . 50.0 112.251 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -63.08 -44.86 94.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.072 -0.392 . . . . 50.0 110.197 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.52 -32.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 119.537 -0.865 . . . . 50.0 109.185 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.68 -45.14 86.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.225 -0.297 . . . . 50.0 110.815 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.5 p -73.55 -35.6 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.261 -0.576 . . . . 50.0 111.07 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -62.31 -40.83 97.61 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.586 0.63 . . . . 50.0 110.972 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -67.28 -36.36 81.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.93 -0.481 . . . . 50.0 109.769 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.39 -33.46 73.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.965 -0.459 . . . . 50.0 110.554 176.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -66.01 -43.52 87.45 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 121.684 -0.635 . . . . 50.0 111.132 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.46 -37.31 84.85 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.374 -0.829 . . . . 50.0 110.376 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -61.01 -43.9 98.2 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 115.638 -0.71 . . . . 50.0 109.543 173.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.96 -33.13 72.71 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -64.75 -50.05 68.37 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 122.083 -0.386 . . . . 50.0 109.963 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -73.91 -27.43 61.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.615 -0.434 . . . . 50.0 111.477 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -35.52 81.07 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 122.315 -0.241 . . . . 50.0 111.301 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -60.91 -39.01 87.72 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.717 0.294 . . . . 50.0 110.496 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -75.4 -31.51 60.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.03 0.443 . . . . 50.0 111.404 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -64.95 -43.11 93.8 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.561 -0.712 . . . . 50.0 111.413 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.4 pt -75.96 -16.6 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.984 -0.447 . . . . 50.0 111.184 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -66.08 -26.87 67.68 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.295 -0.411 . . . . 50.0 111.277 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.7 tp 64.05 -48.01 0.28 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.493 1.917 . . . . 50.0 115.462 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -94.42 83.2 4.13 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.574 -0.899 . . . . 50.0 108.574 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 p -128.24 116.17 19.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.461 -1.245 . . . . 50.0 109.224 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.12 32.17 2.0 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.3 151.18 44.82 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 107.294 -1.373 . . . . 50.0 107.294 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.9 158.19 34.75 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 117.444 -1.238 . . . . 50.0 113.343 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -127.31 31.55 5.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.209 -1.404 . . . . 50.0 107.209 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.2 t0 66.89 105.55 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.76 1.624 . . . . 50.0 112.361 -172.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.49 -23.76 50.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.976 -1.011 . . . . 50.0 112.139 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.84 -54.12 4.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.12 -1.067 . . . . 50.0 108.12 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 44.58 39.92 3.64 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.542 1.312 . . . . 25.0 114.542 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -128.29 175.74 8.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 50.0 111.982 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.81 -173.97 0.14 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.068 0.947 . . . . 25.0 112.407 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -144.82 161.75 38.49 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 104.999 -2.223 . . . . 50.0 104.999 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 79.1 mt -125.25 108.33 19.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 103.98 -2.6 . . . . 50.0 103.98 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -120.61 132.4 55.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.007 -1.109 . . . . 50.0 108.007 -174.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -80.67 124.93 29.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.775 0.798 . . . . 25.0 112.67 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.01 27.86 0.14 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.297 -0.865 . . . . 50.0 113.306 178.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.8 mt -82.9 54.29 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-O 123.101 1.429 . . . . 50.0 107.509 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -88.67 45.85 1.33 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.932 -1.031 . . . . 50.0 111.465 -174.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 . . . . . 0 N--CA 1.487 1.392 0 C-N-CA 125.948 1.699 . . . . 25.0 113.987 179.974 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.528 3.447 0 CA-C-O 124.573 2.13 . . . . 25.0 114.27 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -76.91 41.76 0.29 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.066 -1.425 . . . . 25.0 112.412 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -69.21 -24.89 64.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.007 -0.433 . . . . 25.0 111.549 -178.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 m 66.46 139.87 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.968 1.307 . . . . 25.0 114.281 179.48 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -80.01 -39.16 30.56 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.684 -0.635 . . . . 25.0 111.201 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m 47.85 35.74 5.17 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.141 1.904 . . . . 25.0 116.141 175.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t -130.27 83.32 63.22 Favored Pre-proline 0 N--CA 1.47 0.574 0 N-CA-C 113.748 1.018 . . . . 25.0 113.748 -175.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.41 92.23 1.09 Allowed 'Trans proline' 0 CA--C 1.545 1.051 0 CA-C-N 118.135 0.369 . . . . 50.0 112.91 176.077 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.38 48.87 0.47 Allowed Glycine 0 C--O 1.226 -0.356 0 N-CA-C 116.497 1.359 . . . . 25.0 116.497 -176.098 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -77.47 33.18 0.16 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 121.76 0.79 . . . . 25.0 112.356 179.25 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.11 -23.86 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.925 0 CA-C-O 123.439 1.59 . . . . 50.0 110.496 -175.222 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -165.5 -40.63 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 111.975 -2.375 . . . . 25.0 110.485 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.5 m -75.05 165.22 25.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.716 -0.674 . . . . 25.0 109.535 177.313 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -114.02 68.16 1.62 Allowed Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 120.984 0.421 . . . . 25.0 111.545 176.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -76.65 -10.37 18.57 Favored 'Trans proline' 0 C--N 1.349 0.58 0 CA-C-O 121.837 0.682 . . . . 50.0 113.744 -177.079 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -68.9 -11.38 60.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.844 -1.071 . . . . 50.0 110.867 177.075 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.6 24.9 48.71 Favored Glycine 0 C--O 1.222 -0.625 0 C-N-CA 120.691 -0.766 . . . . 25.0 112.216 178.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 mt -69.82 -26.2 64.13 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.752 -0.833 . . . . 50.0 108.752 178.332 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -89.14 -12.24 41.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.778 -1.101 . . . . 25.0 110.227 177.59 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -131.6 76.07 75.55 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 113.235 0.828 . . . . 50.0 113.235 -176.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -59.51 -33.31 97.12 Favored 'Trans proline' 0 C--O 1.223 -0.266 0 N-CA-C 113.127 0.395 . . . . 50.0 113.127 176.609 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.74 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.323 -0.235 . . . . 25.0 111.587 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -77.95 -40.72 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.024 0.44 . . . . 50.0 110.408 -178.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.41 -40.71 93.74 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.67 -0.412 . . . . 50.0 111.248 -178.028 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -56.59 -45.06 81.57 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.922 -0.77 . . . . 75.0 108.922 176.373 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.47 -43.61 98.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.129 0.49 . . . . 50.0 111.631 -177.03 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -63.65 -49.54 72.84 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.986 -0.552 . . . . 50.0 111.088 178.395 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.819 -0.628 . . . . 50.0 112.305 -177.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.5 mt -63.32 -33.35 75.34 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.26 0.552 . . . . 50.0 109.782 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.02 -4.0 59.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 25.0 112.46 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -122.84 99.76 41.21 Favored Pre-proline 0 CA--C 1.534 0.343 0 N-CA-C 113.056 0.761 . . . . 50.0 113.056 -175.82 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -66.62 -24.52 48.16 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 N-CA-C 115.693 1.382 . . . . 50.0 115.693 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.29 -39.52 54.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.825 0.821 . . . . 25.0 110.796 178.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -75.47 -33.46 60.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.141 -0.936 . . . . 50.0 108.684 -174.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.59 -29.14 64.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.44 -0.578 . . . . 50.0 109.44 175.293 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -71.63 -43.33 66.35 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.157 -0.34 . . . . 25.0 111.223 -178.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.58 -29.38 69.42 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.997 0.903 . . . . 50.0 109.897 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -70.17 -45.68 66.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.094 -0.957 . . . . 50.0 112.148 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -66.71 -26.05 66.83 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 122.011 -0.431 . . . . 50.0 111.063 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.54 -54.52 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.196 0.522 . . . . 50.0 111.594 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -93.51 -23.89 18.18 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 116.394 1.998 . . . . 50.0 116.394 -169.245 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -135.7 71.94 63.74 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 112.134 0.42 . . . . 50.0 112.134 179.158 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.86 -39.56 89.49 Favored 'Trans proline' 0 CA--C 1.552 1.415 0 N-CA-C 117.845 2.209 . . . . 50.0 117.845 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.22 -32.26 27.32 Favored 'Trans proline' 0 C--N 1.361 1.226 1 C-N-CA 112.687 -4.408 . . . . 50.0 115.642 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -73.81 -32.45 63.73 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.897 -1.127 . . . . 50.0 108.995 177.085 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.25 68.42 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.924 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.1 -31.58 70.17 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.366 0.53 . . . . 50.0 111.866 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.483 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -59.43 -40.75 87.75 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 122.978 0.511 . . . . 25.0 111.28 174.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.8 -42.6 66.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.705 -0.68 . . . . 50.0 110.725 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.86 -33.38 75.15 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.768 0.794 . . . . 50.0 109.8 -176.429 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 t -71.55 -22.96 61.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.848 -1.069 . . . . 50.0 111.964 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.65 -17.44 35.24 Favored Glycine 0 N--CA 1.457 0.078 0 N-CA-C 114.199 0.44 . . . . 25.0 114.199 178.111 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -70.36 113.47 7.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.942 0.401 . . . . 50.0 111.502 -177.494 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.65 -33.45 75.93 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.653 -0.499 . . . . 50.0 109.653 177.7 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.23 -53.3 59.64 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.747 -0.464 . . . . 50.0 109.747 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.3 ptmt -67.94 -35.71 78.88 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.913 -0.715 . . . . 50.0 111.119 178.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -60.85 -51.12 70.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.677 0.671 . . . . 50.0 111.198 177.908 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -63.15 -38.23 90.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.054 0.39 . . . . 50.0 112.054 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.57 79.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.089 -0.337 . . . . 50.0 110.089 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.15 -34.31 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 C-N-CA 120.082 -0.647 . . . . 50.0 109.454 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.8 -44.97 86.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.892 -0.505 . . . . 75.0 111.812 179.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.1 p -76.62 -33.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.496 -0.482 . . . . 50.0 110.718 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -62.15 -42.96 99.76 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.757 -0.589 . . . . 50.0 110.909 177.214 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.98 -35.65 79.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.754 0.312 . . . . 50.0 111.057 177.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -69.94 -38.82 76.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.98 -0.45 . . . . 50.0 110.691 177.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -67.33 -38.89 85.63 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.152 -0.342 . . . . 50.0 110.46 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.36 -43.47 85.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.386 0.612 . . . . 75.0 110.178 179.331 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -56.05 -46.34 78.93 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.095 -0.502 . . . . 50.0 109.653 176.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.07 99.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.553 -0.294 . . . . 25.0 111.434 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -67.97 -42.8 80.3 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.631 -0.668 . . . . 50.0 110.964 -176.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -74.45 -38.91 62.84 Favored 'General case' 0 C--O 1.21 -0.991 0 C-N-CA 120.125 -0.63 . . . . 50.0 111.772 -175.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.65 -38.36 77.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.36 0.527 . . . . 50.0 111.519 178.022 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.34 -37.3 86.73 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.562 0.22 . . . . 50.0 110.884 178.107 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -73.42 -33.96 65.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.648 0.261 . . . . 50.0 111.128 177.903 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -66.08 -40.7 91.03 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.885 -0.51 . . . . 50.0 111.142 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.7 pt -75.8 -18.79 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 121.881 -0.512 . . . . 50.0 111.312 177.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -75.17 -15.99 60.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 119.306 -0.378 . . . . 50.0 111.418 177.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.4 tp 65.83 -44.05 0.38 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.457 1.903 . . . . 50.0 114.731 -175.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -100.5 125.86 46.87 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.258 -0.276 . . . . 50.0 110.307 177.712 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -146.98 154.29 41.07 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.944 -1.872 . . . . 50.0 105.944 172.298 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.76 18.41 10.27 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 124.031 0.832 . . . . 25.0 110.473 176.555 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.09 150.49 45.24 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 107.775 -1.195 . . . . 50.0 107.775 -179.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.98 161.01 42.08 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 117.371 -1.286 . . . . 50.0 113.563 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.64 34.03 3.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.695 -1.224 . . . . 50.0 107.695 -178.566 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.1 t0 66.55 113.2 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 118.844 2.905 . . . . 50.0 118.844 173.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.45 -21.67 57.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.699 -1.591 . . . . 50.0 112.742 175.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -80.84 -21.13 41.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.224 0.535 . . . . 50.0 110.904 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.85 27.89 0.13 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 179.145 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -99.3 134.04 42.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.492 0.663 . . . . 50.0 111.147 -178.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.4 151.96 26.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.469 -0.787 . . . . 25.0 110.977 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -118.03 173.54 6.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.754 -1.572 . . . . 50.0 106.754 175.137 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 71.2 mt -124.01 107.55 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.377 -1.342 . . . . 50.0 107.377 177.06 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -142.74 122.22 13.21 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 123.589 0.756 . . . . 50.0 111.598 -176.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -106.68 117.58 34.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.443 0.64 . . . . 25.0 109.336 169.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -149.03 66.51 1.03 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.12 0.962 . . . . 50.0 110.138 178.004 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.5 pt -119.47 14.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 122.624 1.202 . . . . 50.0 108.048 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -83.92 46.76 1.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 114.229 -1.35 . . . . 50.0 112.636 -176.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--O 1.214 -0.807 0 CA-C-O 126.56 3.076 . . . . 25.0 112.07 -178.238 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.387 0 CA-C-O 123.96 1.838 . . . . 25.0 113.977 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -126.92 156.21 41.83 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 113.533 -1.667 . . . . 25.0 108.265 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -142.98 155.79 44.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 106.916 -1.513 . . . . 25.0 106.916 176.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -160.33 175.96 12.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 105.107 -2.183 . . . . 25.0 105.107 -178.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 69.0 -32.34 0.22 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 115.325 1.602 . . . . 25.0 115.325 179.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 p -76.91 68.81 3.15 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.66 1.356 . . . . 25.0 114.66 -178.908 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.401 ' HB2' ' HD3' ' A' ' 8' ' ' PRO . 6.0 m -151.51 -59.43 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 113.756 1.021 . . . . 25.0 113.756 174.253 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.401 ' HD3' ' HB2' ' A' ' 7' ' ' SER . 24.3 Cg_endo -88.36 20.84 1.08 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 115.985 -2.21 . . . . 50.0 114.169 -178.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.42 -46.31 3.19 Favored Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 110.827 -0.909 . . . . 25.0 110.827 -172.028 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 50.83 76.37 0.16 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.911 -1.515 . . . . 25.0 106.911 -173.051 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.428 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -68.65 61.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.428 -1.53 0 C-N-CA 126.364 1.866 . . . . 50.0 111.635 -175.931 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' C ' ' H ' ' A' ' 14' ' ' SER . 72.7 p -71.09 161.1 31.7 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.794 -1.548 . . . . 25.0 111.465 -177.619 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.05 14.24 0.56 Allowed 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 112.975 0.731 . . . . 25.0 112.975 177.622 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 12' ' ' THR . 26.8 m 52.2 66.18 5.36 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 114.18 1.178 . . . . 25.0 114.18 -178.674 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.39 -2.37 8.98 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 123.679 2.92 . . . . 50.0 113.975 178.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.38 0.8 0.25 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 113.412 -1.722 . . . . 50.0 112.535 171.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.02 9.82 65.26 Favored Glycine 0 C--O 1.225 -0.44 0 N-CA-C 112.193 -0.363 . . . . 25.0 112.193 178.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.5 mt -79.36 -38.54 34.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.457 0.646 . . . . 50.0 109.849 -178.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.44 -22.39 47.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.295 1.045 . . . . 25.0 109.024 177.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -118.93 73.69 12.44 Favored Pre-proline 0 C--O 1.24 0.562 0 CA-C-N 115.23 -0.895 . . . . 50.0 113.293 178.078 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -62.37 -28.89 78.84 Favored 'Trans proline' 0 C--O 1.213 -0.771 0 O-C-N 121.728 0.331 . . . . 50.0 112.064 175.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.04 96.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.335 -0.228 . . . . 25.0 110.691 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.93 -41.39 64.59 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.358 -0.383 . . . . 50.0 110.145 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.01 -42.4 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.953 -0.388 . . . . 50.0 109.953 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -44.42 91.55 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.313 -0.625 . . . . 50.0 109.313 176.078 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.97 -43.98 90.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.878 0.37 . . . . 50.0 111.378 -177.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.12 -43.87 97.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.058 0.456 . . . . 50.0 110.458 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.36 -40.65 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 50.0 111.607 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.94 -37.75 85.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.208 0.528 . . . . 50.0 109.704 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.47 -13.56 59.01 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.978 0.733 . . . . 25.0 112.978 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -111.6 100.61 48.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.8 0.667 . . . . 50.0 112.8 -173.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.25 -25.61 57.21 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 N-CA-C 115.279 1.223 . . . . 50.0 115.279 -177.202 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -76.14 -43.36 43.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 25.0 111.161 178.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.98 -38.44 64.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.173 -0.677 . . . . 50.0 109.173 -174.546 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -30.11 71.29 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.595 -0.691 . . . . 50.0 110.826 176.137 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -74.82 -39.61 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.186 0.594 . . . . 25.0 111.216 -179.406 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.04 -33.77 74.12 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 108.49 -0.93 . . . . 50.0 108.49 176.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.83 -43.06 97.34 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.252 -0.886 . . . . 50.0 112.595 -178.644 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -68.54 -26.14 65.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.083 -0.647 . . . . 50.0 112.495 175.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -78.68 -51.89 9.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 50.0 110.656 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.14 -34.1 32.72 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.586 1.699 . . . . 50.0 115.586 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.418 HD21 ' CD ' ' A' ' 64' ' ' GLN . 17.7 t-20 -137.35 66.77 52.61 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 113.179 0.807 . . . . 50.0 113.179 -176.351 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.31 -34.81 72.03 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 N-CA-C 118.071 2.297 . . . . 50.0 118.071 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.87 -29.14 28.83 Favored 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 112.403 -4.598 . . . . 50.0 116.014 177.054 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.47 -33.59 60.83 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.681 -1.262 . . . . 50.0 107.747 175.326 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.32 76.9 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.482 -0.781 . . . . 25.0 112.276 178.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.76 -32.57 72.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.07 0.85 . . . . 50.0 110.674 -177.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.467 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -59.78 -43.99 94.13 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 115.869 -0.605 . . . . 25.0 111.57 174.333 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.25 -41.13 90.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.695 -0.684 . . . . 50.0 110.693 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.81 -31.49 72.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.362 0.601 . . . . 50.0 110.756 -176.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.4 m -73.75 -24.24 59.85 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.473 -0.785 . . . . 50.0 111.644 -179.225 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.7 -11.95 54.4 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 116.306 -0.406 . . . . 25.0 112.563 -178.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -70.18 112.4 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 50.0 111.197 -178.798 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -36.95 85.51 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.726 -0.472 . . . . 50.0 109.726 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -57.09 -54.69 43.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.762 -0.586 . . . . 50.0 110.452 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.467 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.88 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 119.828 -0.749 . . . . 50.0 110.197 -179.419 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -59.8 -53.03 62.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 118.654 0.661 . . . . 50.0 111.993 176.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 t -63.86 -43.03 97.31 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 112.317 0.488 . . . . 50.0 112.317 -179.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -61.63 -45.25 94.85 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.837 -0.539 . . . . 50.0 111.504 -178.545 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.02 -34.22 62.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.037 -0.727 . . . . 50.0 109.037 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.17 -41.22 87.9 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 110.167 -0.309 . . . . 50.0 110.167 175.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.04 -44.38 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.051 0.387 . . . . 50.0 110.375 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -57.29 -44.84 84.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.492 0.663 . . . . 50.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.418 ' CD ' HD21 ' A' ' 42' ' ' ASN . 21.7 mt-30 -70.74 -33.25 70.62 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 112.937 0.717 . . . . 50.0 112.937 176.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -62.74 -38.02 88.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.013 0.37 . . . . 50.0 110.575 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -61.78 -38.76 89.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.079 0.466 . . . . 50.0 109.761 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -78.16 -33.86 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.358 0.599 . . . . 50.0 111.515 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -38.97 92.97 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 122.812 0.445 . . . . 50.0 110.486 177.184 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.63 -30.81 63.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.895 0.379 . . . . 25.0 110.997 178.67 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -74.75 -31.22 61.74 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.534 -0.303 . . . . 50.0 110.964 179.393 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -75.4 -34.1 61.04 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 122.106 0.955 . . . . 50.0 109.243 176.639 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -28.77 69.8 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.411 -1.268 . . . . 50.0 112.065 -175.73 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -54.06 -39.99 66.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.041 -0.527 . . . . 50.0 110.147 173.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -75.15 -31.26 61.0 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.185 -0.322 . . . . 50.0 111.766 178.572 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -63.74 -42.89 97.79 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.905 -0.497 . . . . 50.0 112.337 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.4 pt -70.15 -18.77 21.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.047 -0.661 . . . . 50.0 110.774 -177.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -83.16 -18.91 37.74 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.294 0.238 . . . . 50.0 111.428 174.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.8 mt -117.23 -88.8 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.077 0.551 . . . . 50.0 111.078 -176.729 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -150.79 157.49 42.99 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 122.107 0.956 . . . . 50.0 112.46 178.252 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.1 t -158.41 158.23 33.8 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 100.566 -3.864 . . . . 50.0 100.566 171.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.85 17.52 0.99 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.723 0.773 . . . . 25.0 109.745 178.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.13 150.19 95.81 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 114.483 -1.235 . . . . 50.0 111.986 -174.713 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.18 172.89 15.28 Favored 'Trans proline' 0 C--N 1.349 0.589 0 N-CA-C 113.892 0.689 . . . . 50.0 113.892 -178.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -121.13 13.62 11.27 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.286 -0.87 . . . . 50.0 109.298 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.1 t0 72.61 120.07 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.432 1.893 . . . . 50.0 109.595 -171.638 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -48.82 49.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.747 -1.115 . . . . 50.0 111.179 -174.585 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.52 -46.72 10.58 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.017 -0.273 . . . . 50.0 111.064 176.516 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.44 51.38 16.92 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.763 0.825 . . . . 25.0 111.297 -176.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -121.23 175.78 5.95 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.233 -0.894 . . . . 50.0 113.291 -176.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 64.02 -172.06 0.17 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.99 1.478 . . . . 25.0 114.99 173.496 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.52 159.07 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 105.98 -1.859 . . . . 50.0 105.98 -176.706 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.5 mt -93.44 105.62 17.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 105.748 -1.945 . . . . 50.0 105.748 176.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -120.16 144.42 47.69 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 107.983 -1.117 . . . . 50.0 107.983 178.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.37 153.76 46.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.446 0.641 . . . . 25.0 112.264 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -132.46 79.97 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.549 0.69 . . . . 50.0 110.313 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.2 mm -81.2 46.67 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 122.129 0.966 . . . . 50.0 110.159 -177.498 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -93.86 54.04 1.9 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.359 1.076 . . . . 50.0 108.968 -179.824 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 N--CA 1.487 1.412 0 C-N-CA 126.418 1.887 . . . . 25.0 111.911 -175.592 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.503 2.186 0 CA-C-O 124.322 2.011 . . . . 25.0 115.712 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -69.43 118.33 12.17 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 114.014 -1.448 . . . . 25.0 108.689 179.652 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -145.2 16.21 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.256 -0.429 . . . . 25.0 112.071 -173.062 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.5 p -149.45 163.23 38.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.706 0.288 . . . . 25.0 110.789 -177.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -134.71 -179.96 5.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.162 -1.422 . . . . 25.0 107.162 179.415 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -74.47 -101.77 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.598 1.332 . . . . 25.0 114.598 -177.999 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.2 m -151.51 159.03 34.0 Favored Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 121.495 -0.753 . . . . 25.0 110.125 -174.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -74.98 172.84 15.58 Favored 'Trans proline' 0 C--N 1.351 0.68 0 O-C-N 122.109 0.531 . . . . 50.0 112.324 176.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.35 -44.15 0.02 OUTLIER Glycine 0 C--O 1.219 -0.788 0 N-CA-C 116.433 1.333 . . . . 25.0 116.433 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 12' ' ' THR . 12.6 tt0 53.19 34.54 17.75 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 122.037 0.922 . . . . 25.0 111.816 -174.828 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.24 7.4 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.734 0 C-N-CA 124.818 1.247 . . . . 50.0 113.189 179.348 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.457 ' H ' ' C ' ' A' ' 10' ' ' GLU . 7.5 p -89.46 -7.81 54.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.863 -1.517 . . . . 25.0 110.336 176.725 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 p -69.22 160.5 31.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.472 -0.786 . . . . 25.0 110.227 177.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m 47.38 61.0 14.44 Favored Pre-proline 0 N--CA 1.477 0.879 0 N-CA-C 115.513 1.671 . . . . 25.0 115.513 -178.95 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.463 ' C ' ' H ' ' A' ' 17' ' ' GLY . 89.5 Cg_endo -72.39 -9.8 24.69 Favored 'Trans proline' 0 CA--C 1.51 -0.68 0 N-CA-C 115.877 1.453 . . . . 50.0 115.877 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 67.87 -18.4 0.15 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.734 1.614 . . . . 50.0 113.47 -177.88 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 15' ' ' PRO . . . -65.98 -9.59 47.71 Favored Glycine 0 C--O 1.221 -0.674 0 N-CA-C 110.83 -0.908 . . . . 25.0 110.83 170.074 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.19 -36.87 81.03 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.099 0.476 . . . . 50.0 110.571 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -84.33 -26.62 28.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.208 1.004 . . . . 25.0 109.6 -178.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -117.97 80.84 15.16 Favored Pre-proline 0 C--O 1.239 0.528 0 CA-C-N 115.192 -0.913 . . . . 50.0 112.898 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -59.79 -31.81 94.57 Favored 'Trans proline' 0 C--O 1.214 -0.692 0 O-C-N 121.655 0.292 . . . . 50.0 112.657 175.566 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.7 93.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.388 -0.195 . . . . 25.0 111.18 -179.555 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.07 -35.6 61.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.048 0.452 . . . . 50.0 110.443 -178.578 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 tp -68.78 -37.3 79.22 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.288 -0.258 . . . . 50.0 111.228 -178.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -61.32 -45.64 93.62 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 106.361 -1.718 . . . . 50.0 106.361 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.13 80.23 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.06 -1.427 . . . . 50.0 112.673 -179.215 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -60.97 -49.1 78.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.306 0.574 . . . . 50.0 110.431 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.25 -41.15 83.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.402 -0.817 . . . . 50.0 112.774 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.42 -37.34 86.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.947 0.403 . . . . 50.0 110.341 179.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.21 -11.12 59.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.328 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -109.94 96.05 23.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 112.262 0.467 . . . . 50.0 112.262 -174.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.79 -29.53 76.96 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 N-CA-C 115.165 1.179 . . . . 50.0 115.165 -175.366 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -76.01 -38.76 56.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 25.0 112.149 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.82 -37.82 62.21 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 107.383 -1.34 . . . . 50.0 107.383 -176.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.54 -31.87 72.26 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.399 -0.521 . . . . 75.0 112.207 179.467 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -74.66 -39.29 62.12 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.123 0.487 . . . . 25.0 110.375 -178.311 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.59 -33.8 69.36 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.682 0.753 . . . . 50.0 109.465 177.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 51.6 tp -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.477 0.917 . . . . 50.0 113.477 179.811 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.46 -26.18 66.26 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 119.896 -0.722 . . . . 50.0 111.544 175.302 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -77.5 -51.89 9.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.415 0.15 . . . . 50.0 110.864 176.681 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -73.49 -38.2 65.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.364 1.616 . . . . 50.0 115.364 -179.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -136.97 73.16 53.17 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 114.391 1.256 . . . . 50.0 114.391 -173.473 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.51 -38.15 94.33 Favored 'Trans proline' 0 CA--C 1.555 1.567 0 N-CA-C 118.144 2.325 . . . . 50.0 118.144 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.31 -30.96 23.52 Favored 'Trans proline' 0 C--N 1.362 1.266 1 C-N-CA 112.308 -4.661 . . . . 50.0 115.959 178.15 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.98 -31.21 62.88 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.791 -1.193 . . . . 50.0 108.284 175.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.14 73.99 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 118.653 -0.689 . . . . 25.0 112.215 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -59.96 -31.85 70.27 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.454 1.024 . . . . 50.0 110.988 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.535 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.22 -45.74 87.12 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.545 -0.752 . . . . 25.0 112.169 173.175 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 tp -66.29 -42.73 87.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.598 -0.728 . . . . 50.0 110.689 177.354 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.37 -31.29 72.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.288 0.566 . . . . 50.0 111.055 -175.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.9 -23.34 60.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.583 -0.735 . . . . 50.0 111.863 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.52 -20.18 19.77 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 116.37 -0.377 . . . . 25.0 112.206 -178.248 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 46.5 t0 -62.64 113.78 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.78 0.432 . . . . 50.0 111.503 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.74 -37.5 87.81 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 176.729 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.35 -53.34 59.37 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.982 -0.449 . . . . 50.0 110.556 -175.598 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 8.7 ptmt -63.97 -37.56 87.87 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.227 -0.589 . . . . 50.0 109.939 178.207 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -59.55 -51.44 69.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.66 0.664 . . . . 50.0 112.274 176.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.5 t -65.31 -40.0 93.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.541 0.571 . . . . 50.0 112.541 178.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.44 90.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.315 -0.624 . . . . 50.0 109.315 -178.75 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.49 -34.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.8 tp -54.4 -44.98 72.79 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.795 -0.566 . . . . 50.0 110.467 178.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.99 -42.67 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.823 0.344 . . . . 50.0 110.975 177.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.48 -38.09 86.03 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.844 -0.535 . . . . 50.0 110.783 179.11 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.48 -33.08 68.96 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.224 -0.298 . . . . 50.0 110.81 178.163 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -67.06 -38.91 86.65 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.719 -0.475 . . . . 50.0 109.719 175.048 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -64.28 -37.88 89.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.934 -0.395 . . . . 50.0 109.934 177.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.27 -36.95 66.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.159 -0.616 . . . . 50.0 111.47 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -42.89 89.44 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 109.566 -0.531 . . . . 50.0 109.566 176.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.02 67.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 177.79 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -72.55 -40.57 66.59 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 122.071 -0.393 . . . . 50.0 111.933 177.442 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -70.28 -29.87 66.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.638 0.732 . . . . 50.0 110.24 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -31.08 71.04 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.84 -0.618 . . . . 50.0 110.721 -179.16 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -57.82 -39.05 76.68 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.505 -0.316 . . . . 50.0 111.187 179.154 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -80.12 -32.13 39.05 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.03 1.493 . . . . 50.0 115.03 171.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -64.64 -28.03 69.34 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.444 1.276 . . . . 50.0 114.444 -176.8 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.6 pt -59.93 -18.81 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 113.152 0.797 . . . . 50.0 113.152 176.576 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -59.59 -18.18 39.02 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 119.695 -0.193 . . . . 50.0 111.044 175.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.517 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 23.3 tp 60.91 -170.59 0.15 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.951 1.3 . . . . 50.0 110.174 178.435 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.517 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 63.8 m-85 55.97 22.43 5.77 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.643 1.349 . . . . 50.0 114.643 -179.469 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 t -92.77 115.05 27.76 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.076 -1.824 . . . . 50.0 106.076 176.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.19 39.05 1.16 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.22 -0.9 . . . . 25.0 110.955 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -72.82 143.68 84.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.742 -0.836 . . . . 50.0 108.742 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.17 158.64 33.7 Favored 'Trans proline' 0 C--N 1.345 0.354 0 N-CA-C 114.444 0.902 . . . . 50.0 114.444 -172.559 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -132.84 13.81 4.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.36 -1.291 . . . . 50.0 109.682 -176.64 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.4 t0 74.02 117.33 0.05 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.133 1.773 . . . . 50.0 110.678 -172.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.35 -26.52 58.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.15 -0.932 . . . . 50.0 111.199 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -80.61 -52.72 7.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.652 -1.24 . . . . 50.0 107.652 174.197 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 48.38 30.45 2.33 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 113.962 -1.472 . . . . 25.0 111.752 -175.329 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -65.07 146.15 55.37 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.544 0.687 . . . . 50.0 111.139 -177.357 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.71 142.12 41.04 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -140.1 160.8 39.13 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.616 -0.883 . . . . 50.0 108.616 178.088 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.7 mt -134.96 120.37 30.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 100.874 -3.751 . . . . 50.0 100.874 170.717 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -130.56 140.14 50.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.101 -0.703 . . . . 50.0 109.101 -174.266 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -131.34 156.83 44.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.979 0.418 . . . . 25.0 111.634 -175.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -131.78 79.89 1.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 106.938 -1.504 . . . . 50.0 106.938 172.628 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.1 mt -81.13 63.63 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 122.844 1.307 . . . . 50.0 107.991 -176.816 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.58 12.9 1.81 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.326 -1.306 . . . . 50.0 114.461 -174.875 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.21 -1.024 0 CA-C-O 124.099 1.904 . . . . 25.0 112.428 -177.606 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 125.147 2.403 . . . . 25.0 113.465 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -57.45 -33.95 68.48 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.117 -1.856 . . . . 25.0 112.119 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -98.72 -2.05 39.1 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 122.067 -0.396 . . . . 25.0 111.818 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.5 m -75.42 -34.3 61.01 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 -179.392 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -96.66 -39.86 9.29 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.298 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.5 -34.64 0.12 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 117.509 2.411 . . . . 25.0 117.509 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.9 p -152.29 154.05 31.67 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 118.534 0.606 . . . . 25.0 110.082 178.827 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.672 ' HA ' HD21 ' A' ' 31' ' ' ASN . 45.7 Cg_endo -80.17 175.36 10.41 Favored 'Trans proline' 0 C--N 1.349 0.6 0 O-C-N 121.876 0.408 . . . . 50.0 112.53 176.363 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.4 27.84 2.3 Favored Glycine 0 N--CA 1.462 0.42 0 N-CA-C 120.437 2.935 . . . . 25.0 120.437 170.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -99.36 31.23 3.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.54 1.17 . . . . 25.0 109.266 176.263 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.45 ' H ' HG13 ' A' ' 11' ' ' ILE . 2.4 mt -64.05 -11.52 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 122.9 1.333 . . . . 50.0 114.163 179.353 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.0 p -79.49 -62.62 1.63 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 113.925 -1.489 . . . . 25.0 111.394 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.8 p -171.88 151.18 2.73 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.252 -0.648 . . . . 25.0 109.252 -179.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -129.44 75.75 79.6 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 172.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -67.7 -30.51 34.36 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 116.728 -1.715 . . . . 50.0 112.879 -175.815 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -70.45 -25.65 63.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.099 0.476 . . . . 50.0 110.509 176.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.29 -22.39 76.08 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.826 -0.702 . . . . 25.0 112.05 178.874 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.05 -41.41 86.52 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 117.085 0.443 . . . . 50.0 109.903 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -80.48 -31.65 37.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.205 -0.907 . . . . 25.0 109.928 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -117.19 79.8 11.4 Favored Pre-proline 0 C--O 1.241 0.641 0 CA-C-N 115.725 -0.67 . . . . 50.0 112.023 178.418 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HB3' HD21 ' A' ' 61' ' ' LEU . 43.0 Cg_endo -63.96 -22.46 68.39 Favored 'Trans proline' 0 C--O 1.219 -0.445 0 N-CA-C 112.782 0.262 . . . . 50.0 112.782 176.635 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.29 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.808 -0.442 . . . . 25.0 109.808 177.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.01 -35.63 49.66 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.966 -0.561 . . . . 50.0 110.184 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.28 -45.4 93.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.205 -0.665 . . . . 50.0 109.205 178.362 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -58.38 -47.23 84.53 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 116.07 -0.513 . . . . 50.0 109.886 177.736 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.36 -44.83 95.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.689 0.281 . . . . 50.0 111.59 -178.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.6 ttp -61.64 -47.32 85.92 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 120.766 0.317 . . . . 50.0 110.246 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.4 -44.31 97.37 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 113.074 0.768 . . . . 50.0 113.074 177.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.57 -34.88 77.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.533 . . . . 50.0 109.562 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.33 -29.38 61.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.672 HD21 ' HA ' ' A' ' 8' ' ' PRO . 31.0 t-20 -106.57 105.9 56.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 112.856 0.688 . . . . 50.0 112.856 -167.393 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.5 -23.93 42.95 Favored 'Trans proline' 0 C--O 1.22 -0.377 0 N-CA-C 115.76 1.408 . . . . 50.0 115.76 -175.459 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -76.46 -44.71 34.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.212 1.006 . . . . 25.0 110.138 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -33.33 68.81 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.496 -1.229 . . . . 50.0 110.247 -174.473 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -27.88 60.59 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.891 -0.506 . . . . 50.0 110.26 177.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -43.08 59.7 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.204 -177.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.32 -29.46 69.66 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 119.518 -0.873 . . . . 50.0 109.81 178.894 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -69.24 -43.24 74.41 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.122 -0.944 . . . . 50.0 112.105 -177.743 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -69.53 -26.77 64.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 120.19 -0.604 . . . . 50.0 111.588 175.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.64 -51.95 15.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.596 0.236 . . . . 50.0 111.066 176.135 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -89.87 -28.05 19.5 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 117.186 2.291 . . . . 50.0 117.186 -174.89 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -134.86 71.35 70.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 112.945 0.72 . . . . 50.0 112.945 -177.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -55.51 -37.01 95.42 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 118.195 2.344 . . . . 50.0 118.195 -178.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.76 -30.23 27.76 Favored 'Trans proline' 0 C--N 1.363 1.318 1 C-N-CA 112.689 -4.407 . . . . 50.0 115.756 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.46 -34.38 60.92 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.073 -1.017 . . . . 50.0 108.462 175.241 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -49.13 74.35 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.71 -31.0 69.2 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.863 0.756 . . . . 50.0 110.386 -178.837 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.517 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.24 -41.54 99.11 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.981 -0.554 . . . . 25.0 110.191 177.932 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -67.22 -42.07 84.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.511 -0.768 . . . . 50.0 111.241 176.015 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.23 -33.5 75.63 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.54 0.686 . . . . 50.0 112.476 -172.432 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 71.6 m -73.3 -18.74 61.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.856 -0.611 . . . . 50.0 111.714 177.235 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.91 -16.32 32.87 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 116.514 -0.312 . . . . 25.0 113.286 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.94 115.34 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.413 0.625 . . . . 50.0 111.961 -177.438 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.85 -34.55 78.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.009 -1.108 . . . . 50.0 108.009 178.102 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -55.37 -48.86 73.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.447 0.641 . . . . 50.0 110.877 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 16.4 ptmt -75.22 -37.26 61.17 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.027 -0.669 . . . . 50.0 111.579 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -60.19 -48.32 82.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.674 0.67 . . . . 50.0 110.719 177.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 t -66.68 -42.62 86.25 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.898 0.38 . . . . 50.0 111.066 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -63.56 -44.96 92.61 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.259 -0.576 . . . . 50.0 110.775 -178.521 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.29 -34.03 66.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 108.786 -0.82 . . . . 50.0 108.786 179.094 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.416 HD21 ' HB3' ' A' ' 21' ' ' PRO . 2.0 tp -56.63 -45.07 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.088 -0.382 . . . . 50.0 110.835 176.257 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.58 -43.75 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.77 0.319 . . . . 50.0 110.196 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -62.18 -39.62 93.3 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.729 -0.388 . . . . 50.0 111.341 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -67.14 -40.43 86.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.006 -0.434 . . . . 50.0 110.182 177.631 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -63.06 -41.35 99.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.51 -0.552 . . . . 50.0 109.51 177.071 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.44 -44.62 86.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.91 0.337 . . . . 50.0 111.91 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.31 -44.4 83.51 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 117.809 0.277 . . . . 50.0 110.694 -179.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -65.61 -33.07 75.04 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.093 -0.643 . . . . 50.0 110.393 -177.682 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.09 -26.27 66.07 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.045 -0.525 . . . . 25.0 112.096 174.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -73.25 -41.12 64.05 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.928 -0.767 . . . . 50.0 108.928 176.138 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -70.02 -30.63 67.98 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 121.334 0.587 . . . . 50.0 110.104 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.87 -36.91 73.01 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.141 -0.481 . . . . 50.0 110.611 -177.523 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -57.9 -42.97 85.78 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.414 0.524 . . . . 50.0 112.414 -178.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.36 -32.08 43.12 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.965 -0.459 . . . . 50.0 111.775 177.246 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -67.66 -44.27 78.26 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.311 0.486 . . . . 50.0 112.311 -179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.4 pt -72.3 -18.68 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 121.854 -0.529 . . . . 50.0 111.517 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -66.29 -24.76 66.61 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.47 -0.937 . . . . 50.0 108.47 177.15 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 19.9 tp 60.46 179.9 0.1 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.874 1.269 . . . . 50.0 110.797 178.552 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.424 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 32.8 m-85 54.65 29.88 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.267 1.027 . . . . 50.0 113.264 -176.656 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.39 100.91 6.71 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.133 -1.432 . . . . 50.0 107.133 178.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.16 41.97 0.96 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.516 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.24 156.6 76.29 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.212 -0.904 . . . . 50.0 112.753 -172.441 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.58 -163.17 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 121.758 1.639 . . . . 50.0 113.016 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.2 t80 65.89 33.78 7.69 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.702 1.239 . . . . 50.0 108.224 -177.694 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -87.97 32.79 0.73 Allowed 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 113.867 -1.515 . . . . 50.0 111.337 178.493 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.86 -26.28 68.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.3 0.571 . . . . 50.0 109.967 178.541 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -70.05 -23.98 63.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.093 -0.958 . . . . 50.0 111.519 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.42 -4.01 58.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.359 0.599 . . . . 25.0 111.353 -176.361 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -108.42 128.97 55.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.594 0.712 . . . . 50.0 111.998 -173.796 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.97 173.33 16.11 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 177.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -129.94 152.72 49.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 104.868 -2.271 . . . . 50.0 104.868 172.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.23 117.22 46.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 103.819 -2.66 . . . . 50.0 103.819 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -129.55 134.9 48.0 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.578 -1.267 . . . . 50.0 107.578 -177.669 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -112.77 140.53 47.48 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 176.434 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -143.93 53.63 1.3 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.243 -1.392 . . . . 50.0 107.243 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.7 pt 35.56 28.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 120.729 3.603 . . . . 50.0 120.729 177.199 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -83.77 58.24 4.54 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.378 -0.826 . . . . 50.0 110.793 175.053 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 126.284 2.945 . . . . 25.0 114.698 178.114 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 124.391 2.043 . . . . 25.0 112.97 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -138.51 156.85 47.15 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 113.622 -1.626 . . . . 25.0 108.997 179.119 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 56.94 17.94 3.62 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.146 1.165 . . . . 25.0 114.146 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -79.17 47.17 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.429 0.691 . . . . 25.0 112.124 178.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -105.47 11.06 33.0 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 123.267 0.627 . . . . 25.0 110.937 -176.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m -119.63 159.61 24.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 -179.364 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 m -148.05 -54.7 0.02 OUTLIER Pre-proline 0 C--O 1.216 -0.67 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 176.143 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -80.31 169.13 17.69 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 113.741 -3.706 . . . . 50.0 109.642 164.415 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.454 ' C ' ' H ' ' A' ' 11' ' ' ILE . . . 143.06 42.09 0.06 OUTLIER Glycine 0 C--N 1.319 -0.367 0 N-CA-C 110.843 -0.903 . . . . 25.0 110.843 -178.471 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -71.43 25.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -175.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.454 ' H ' ' C ' ' A' ' 9' ' ' GLY . 1.1 mt -105.76 3.98 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 123.609 1.671 . . . . 50.0 107.275 179.419 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -57.85 151.39 18.06 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.075 -1.875 . . . . 25.0 115.387 -176.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -107.02 -147.97 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 173.334 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -109.05 56.28 0.26 Allowed Pre-proline 0 CA--C 1.547 0.828 0 N-CA-C 114.594 1.331 . . . . 25.0 114.594 176.615 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -72.0 -19.62 26.44 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 115.447 -2.569 . . . . 50.0 113.925 -176.822 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.38 0.92 0.24 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.83 1.789 . . . . 50.0 115.83 -178.171 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.05 26.68 36.32 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.39 -0.909 . . . . 25.0 112.457 178.292 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.65 -36.88 81.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.521 -1.288 . . . . 50.0 107.521 177.041 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -84.64 -20.95 30.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.864 -1.516 . . . . 25.0 110.494 177.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -123.71 79.11 56.19 Favored Pre-proline 0 C--O 1.242 0.67 0 CA-C-N 115.947 -0.57 . . . . 50.0 112.274 -178.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -59.5 -27.52 85.18 Favored 'Trans proline' 0 C--O 1.214 -0.678 0 C-N-CA 119.888 0.392 . . . . 50.0 112.713 176.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.2 96.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.841 0.312 . . . . 25.0 111.841 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.2 mt -77.39 -37.01 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.945 -0.57 . . . . 50.0 110.529 -176.996 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.59 -39.17 88.29 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.457 -0.572 . . . . 50.0 109.457 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -44.51 87.51 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.43 -0.581 . . . . 50.0 109.43 175.429 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.32 -46.8 81.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 50.0 111.398 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.61 -49.84 76.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.505 0.669 . . . . 50.0 110.612 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.86 -42.85 99.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.39 -0.823 . . . . 50.0 112.417 -178.303 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.3 -37.99 89.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.097 0.475 . . . . 50.0 110.479 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.64 -18.98 56.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.596 -0.729 . . . . 25.0 112.264 -178.226 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -104.3 104.11 42.58 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 112.496 0.554 . . . . 50.0 112.496 -173.686 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -67.18 -26.61 42.27 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 N-CA-C 115.686 1.379 . . . . 50.0 115.686 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -76.15 -44.02 40.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.835 . . . . 25.0 110.091 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.63 71.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.193 -0.912 . . . . 50.0 109.807 -173.916 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -30.41 71.09 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.891 -0.506 . . . . 50.0 110.616 176.98 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -74.67 -40.39 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.476 0.711 . . . . 25.0 110.734 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -33.8 74.11 Favored 'General case' 0 CA--C 1.483 -1.603 0 N-CA-C 108.244 -1.021 . . . . 50.0 108.244 177.756 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.67 -45.16 94.08 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.296 -0.865 . . . . 50.0 112.608 -178.836 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.98 -26.49 66.83 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.798 0.666 . . . . 50.0 112.798 175.605 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.14 -50.45 9.03 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.119 0.485 . . . . 50.0 111.612 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -78.75 -34.31 45.84 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.563 1.32 . . . . 50.0 114.563 -178.664 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -139.01 66.53 39.49 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 113.743 1.016 . . . . 50.0 113.743 -174.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -54.26 -34.7 80.76 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 N-CA-C 118.67 2.527 . . . . 50.0 118.67 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.34 -32.15 26.73 Favored 'Trans proline' 0 C--N 1.363 1.314 1 C-N-CA 112.62 -4.453 . . . . 50.0 115.407 178.307 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.0 tp -75.3 -34.12 61.26 Favored 'General case' 0 CA--C 1.516 -0.362 0 O-C-N 121.001 -1.062 . . . . 50.0 108.263 176.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.88 -49.34 77.87 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.944 0.793 . . . . 50.0 110.813 -177.429 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.487 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.4 -40.89 98.45 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.837 176.431 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.56 -42.82 86.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.504 . . . . 50.0 110.566 177.228 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.59 -27.66 69.4 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.078 0.466 . . . . 50.0 111.5 -174.662 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 m -76.5 -22.72 54.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 112.839 0.681 . . . . 50.0 112.839 -177.46 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.9 -25.75 6.53 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.471 -0.395 . . . . 25.0 112.526 -176.382 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -57.42 102.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.864 1.266 . . . . 50.0 112.326 177.942 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.58 -34.04 76.18 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.705 -0.85 . . . . 50.0 108.705 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -54.37 -50.8 66.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.032 0.444 . . . . 50.0 111.404 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -73.38 -35.62 65.94 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 120.152 -0.619 . . . . 50.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -59.81 -50.67 72.92 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.236 -0.586 . . . . 50.0 111.112 177.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.4 t -64.72 -39.74 94.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.937 0.717 . . . . 50.0 112.937 178.344 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -60.11 -50.16 74.78 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 178.175 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.0 -34.15 65.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.702 -0.851 . . . . 50.0 108.702 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.6 tp -57.06 -47.68 80.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.092 -0.38 . . . . 50.0 111.41 178.127 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.37 -34.72 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.526 -0.47 . . . . 50.0 111.264 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -60.91 -41.99 97.21 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.24 -0.652 . . . . 50.0 109.24 175.612 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -66.63 -46.83 74.54 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-O 118.941 -0.552 . . . . 50.0 109.694 176.864 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.54 -37.28 70.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.945 0.793 . . . . 50.0 111.951 -177.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -61.85 -37.77 85.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.188 -0.32 . . . . 50.0 111.696 177.188 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -76.26 -43.65 40.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.451 0.643 . . . . 50.0 111.548 176.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -62.45 -40.97 98.33 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.725 -0.67 . . . . 50.0 109.396 -174.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -36.35 65.79 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 178.458 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -68.17 -39.12 82.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.378 0.609 . . . . 50.0 111.314 179.536 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -80.79 -28.53 36.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.379 1.085 . . . . 50.0 110.019 -177.074 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.98 -25.72 67.99 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.261 -1.336 . . . . 50.0 112.767 179.121 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -51.22 -37.84 49.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.768 0.318 . . . . 50.0 110.759 174.401 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -75.16 -31.26 60.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.736 -0.603 . . . . 50.0 112.618 175.702 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.5 mtp-105 -68.66 -39.61 80.59 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.816 -0.553 . . . . 50.0 111.543 179.231 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.4 pt -71.1 -18.85 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.035 0.445 . . . . 50.0 110.363 177.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -70.79 -9.9 58.41 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.536 -0.302 . . . . 50.0 110.335 173.561 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tp -117.42 -169.42 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.641 0.776 . . . . 50.0 109.333 -178.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -126.9 165.99 18.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.659 -0.867 . . . . 50.0 108.659 -177.083 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.7 m 53.71 46.22 26.35 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.03 0.919 . . . . 50.0 110.342 -177.491 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.81 16.84 21.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.732 -1.122 . . . . 25.0 109.934 -177.387 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -107.12 153.83 40.79 Favored Pre-proline 0 C--N 1.313 -1.002 0 CA-C-N 114.464 -1.244 . . . . 50.0 111.449 -175.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -83.52 162.28 14.68 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-O 121.28 0.45 . . . . 50.0 112.879 178.128 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -93.71 10.18 33.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.132 0.968 . . . . 50.0 110.181 176.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -82.87 33.88 0.44 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.886 -1.052 . . . . 50.0 112.481 -175.155 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.67 -23.06 66.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.834 0.826 . . . . 50.0 109.651 178.15 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.9 -22.56 39.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.57 -1.195 . . . . 50.0 111.647 178.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.86 45.17 1.13 Allowed 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.297 0.639 . . . . 25.0 111.16 -175.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.5 130.98 49.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.96 0.886 . . . . 50.0 112.261 -175.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.23 163.97 27.35 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.797 -1.092 . . . . 25.0 112.784 -175.568 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -122.2 172.93 7.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.133 -0.94 . . . . 50.0 109.149 178.778 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 30.9 mt -102.21 69.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.374 -1.343 . . . . 50.0 107.374 172.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -130.95 157.19 43.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.232 -0.895 . . . . 50.0 109.242 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.17 157.11 39.81 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.113 -0.699 . . . . 25.0 109.113 -179.181 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -142.19 84.4 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.302 1.049 . . . . 50.0 110.904 179.38 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.4 pt -126.59 44.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 106.3 -1.741 . . . . 50.0 106.3 175.608 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -83.2 57.57 4.02 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.411 -0.813 . . . . 50.0 111.859 -173.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 126.461 3.029 . . . . 25.0 111.376 -178.124 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 1 N--CA 1.542 4.142 0 CA-C-O 123.47 1.605 . . . . 25.0 113.5 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 59.06 -155.2 0.36 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.95 -1.932 . . . . 25.0 109.336 -178.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -103.59 144.73 31.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.793 -0.567 . . . . 25.0 110.538 -175.42 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.9 t -76.68 138.9 40.3 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.661 -1.237 . . . . 25.0 107.661 175.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -121.37 24.97 9.7 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -152.99 176.79 11.49 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.1 m -120.44 73.36 21.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.584 0.231 . . . . 25.0 111.363 176.436 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.24 -177.37 3.64 Favored 'Trans proline' 0 C--N 1.347 0.498 0 N-CA-C 111.166 -0.359 . . . . 50.0 111.166 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.45 42.59 1.98 Allowed Glycine 0 CA--C 1.524 0.604 0 C-N-CA 121.613 -0.327 . . . . 25.0 113.848 178.576 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -83.28 29.27 0.5 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.839 0.828 . . . . 25.0 111.907 -178.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mm -65.31 -18.08 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.577 0 CA-C-O 123.895 1.807 . . . . 50.0 112.98 -176.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -126.74 80.51 1.94 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 111.609 -2.541 . . . . 25.0 109.491 175.505 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.6 p -159.55 173.89 15.46 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 -179.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 m -120.4 76.05 25.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 123.245 0.34 . . . . 25.0 110.738 177.504 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.94 -12.32 28.28 Favored 'Trans proline' 0 CA--C 1.512 -0.599 0 N-CA-C 113.912 0.697 . . . . 50.0 113.912 -176.403 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -69.92 -6.19 31.24 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.102 -0.954 . . . . 50.0 111.109 173.569 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.68 21.25 77.81 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 111.542 -0.623 . . . . 25.0 111.542 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.93 -33.66 75.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.757 0.651 . . . . 50.0 112.757 -175.087 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -85.22 -13.86 48.6 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.826 0.822 . . . . 25.0 109.829 178.315 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -129.06 73.53 81.69 Favored Pre-proline 0 N--CA 1.447 -0.616 0 CA-C-N 115.796 -0.638 . . . . 50.0 112.336 -176.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -60.43 -27.73 85.4 Favored 'Trans proline' 0 C--O 1.218 -0.49 0 O-C-N 121.736 0.335 . . . . 50.0 112.663 176.384 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.044 -0.41 . . . . 25.0 110.7 178.267 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.96 -33.15 57.67 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.411 -0.358 . . . . 75.0 110.409 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.422 -0.584 . . . . 50.0 109.422 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -57.63 -41.99 82.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.009 -0.737 . . . . 50.0 109.009 177.376 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.11 -44.92 87.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.878 0.371 . . . . 50.0 111.798 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.8 ttp -63.16 -43.45 98.25 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.562 -0.29 . . . . 50.0 110.355 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.7 -44.16 96.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.498 0.555 . . . . 50.0 112.498 177.76 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.58 -34.63 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 50.0 109.947 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.24 -10.94 59.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.784 -0.644 . . . . 25.0 112.471 178.54 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -118.1 99.04 51.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 112.71 0.633 . . . . 50.0 112.71 -175.346 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.1 -25.61 58.33 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 115.362 1.255 . . . . 50.0 115.362 -176.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -76.18 -40.88 51.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.73 0.776 . . . . 25.0 110.707 178.911 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.66 -37.47 62.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.695 0.759 . . . . 50.0 109.083 -174.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -30.2 70.69 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.704 -0.623 . . . . 50.0 110.243 176.521 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.82 -42.6 57.73 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.965 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.04 -30.09 70.56 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.281 1.039 . . . . 50.0 109.713 178.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 tp -66.33 -44.37 83.55 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.497 -1.229 . . . . 50.0 111.794 -179.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -73.19 -26.17 61.06 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 119.83 -0.748 . . . . 50.0 112.01 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -69.09 -46.82 66.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.133 0.492 . . . . 50.0 110.615 177.128 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -106.17 -23.99 12.45 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 117.941 2.571 . . . . 50.0 117.941 -173.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -134.14 67.5 73.29 Favored Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 112.952 0.723 . . . . 50.0 112.952 -178.197 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -54.89 -34.52 86.13 Favored 'Trans proline' 0 CA--C 1.549 1.26 0 N-CA-C 118.632 2.512 . . . . 50.0 118.632 -177.628 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.59 -34.01 26.84 Favored 'Trans proline' 0 C--N 1.361 1.221 1 C-N-CA 112.698 -4.401 . . . . 50.0 115.149 177.891 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.59 -31.7 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.025 -1.047 . . . . 50.0 108.359 176.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.34 76.12 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.708 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.13 -31.35 69.99 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.781 0.719 . . . . 50.0 110.525 -178.029 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.526 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.36 -42.07 99.11 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.368 -0.833 . . . . 25.0 111.596 176.813 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.8 tp -67.13 -42.91 83.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.122 -0.49 . . . . 50.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.19 -33.17 75.18 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.191 0.519 . . . . 50.0 110.935 -174.703 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -72.09 -24.02 61.43 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.614 -0.721 . . . . 50.0 111.541 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.81 -22.06 12.88 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 121.485 -0.388 . . . . 25.0 112.706 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.79 108.57 1.21 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.362 0.601 . . . . 50.0 111.189 -179.411 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.68 -34.38 77.0 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.242 -1.392 . . . . 50.0 107.242 178.103 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.05 -51.9 66.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.019 0.438 . . . . 50.0 110.556 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.526 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 14.5 ptmt -69.44 -37.35 77.34 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.647 -0.821 . . . . 50.0 111.434 178.947 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -58.67 -50.21 74.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.573 0.624 . . . . 50.0 110.953 175.746 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -64.31 -42.57 96.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.88 0.696 . . . . 50.0 112.88 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.57 -48.37 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.909 -0.495 . . . . 50.0 110.044 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.95 -34.1 67.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 -178.577 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 5.6 tp -53.09 -45.17 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.095 -0.378 . . . . 50.0 111.148 177.551 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.81 -42.92 82.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.754 0.311 . . . . 50.0 110.188 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.2 -44.2 97.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.997 0.427 . . . . 50.0 110.662 -178.044 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -69.73 -32.55 71.16 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 122.006 -0.434 . . . . 50.0 110.452 179.025 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -65.34 -38.79 91.2 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.622 -0.674 . . . . 50.0 109.878 175.441 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -65.54 -39.35 91.66 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.642 -0.423 . . . . 50.0 110.484 178.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -74.83 -41.01 60.7 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.136 -0.626 . . . . 50.0 112.326 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -59.93 -36.18 76.48 Favored 'General case' 0 C--O 1.207 -1.174 0 N-CA-C 109.591 -0.522 . . . . 50.0 109.591 -178.287 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.81 -30.99 66.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.015 -0.538 . . . . 25.0 112.329 176.193 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -74.39 -42.33 59.45 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.944 -0.762 . . . . 50.0 108.944 177.83 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -71.45 -32.82 68.77 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.961 0.41 . . . . 50.0 110.731 -177.412 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.01 -34.08 67.8 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.789 -0.642 . . . . 50.0 112.352 -173.867 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -58.22 -35.77 72.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.444 -0.344 . . . . 50.0 110.768 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -79.92 -39.57 30.05 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.302 0.482 . . . . 50.0 112.302 172.145 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 mtp-105 -67.36 -29.22 68.7 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.121 1.156 . . . . 50.0 114.121 -174.124 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.1 pt -65.08 -18.69 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.233 0.457 . . . . 50.0 112.233 176.703 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -65.48 -17.08 64.28 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 110.346 -0.242 . . . . 50.0 110.346 176.307 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.0 tp 61.57 177.41 0.12 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.414 1.486 . . . . 50.0 111.775 177.339 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 55.83 22.5 5.64 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.394 1.257 . . . . 50.0 114.394 -178.683 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 t -101.67 116.06 31.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.91 -1.041 . . . . 50.0 108.287 -179.208 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.06 46.62 0.96 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.842 -1.072 . . . . 25.0 109.359 179.231 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.26 136.55 93.73 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.15 -0.477 . . . . 50.0 111.003 -178.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -78.31 168.47 21.57 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.919 1.746 . . . . 50.0 114.141 -177.091 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -127.95 -7.17 5.51 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 123.157 1.456 . . . . 50.0 112.539 179.45 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -86.75 45.78 1.29 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.643 -2.072 . . . . 50.0 109.864 -173.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.3 -32.43 62.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.309 -0.86 . . . . 50.0 108.686 176.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.57 -41.38 16.5 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.061 -0.518 . . . . 50.0 111.085 175.537 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 43.68 53.61 5.89 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.94 1.459 . . . . 25.0 114.94 177.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -96.13 168.8 10.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.782 -0.645 . . . . 50.0 111.187 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.12 140.44 51.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.895 -0.779 . . . . 25.0 108.895 178.013 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -80.0 156.36 27.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.874 0.368 . . . . 50.0 110.977 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.88 93.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.283 -1.006 . . . . 50.0 108.283 178.03 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 53.32 174.7 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.405 2.372 . . . . 50.0 117.405 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -155.73 131.02 9.5 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.281 -0.418 . . . . 25.0 109.988 -178.852 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -142.92 80.41 1.69 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.996 0.903 . . . . 50.0 109.475 172.7 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.3 pt -87.92 35.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.641 0.734 . . . . 50.0 111.486 -178.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -82.75 48.84 1.39 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 122.516 1.151 . . . . 50.0 110.915 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.101 0 CA-C-O 124.773 2.225 . . . . 25.0 111.269 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 123.447 1.594 . . . . 25.0 114.66 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -153.22 163.19 40.33 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 114.729 -1.123 . . . . 25.0 108.511 -178.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 65.16 -45.5 0.35 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.918 2.192 . . . . 25.0 116.918 179.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.3 m -153.14 171.46 18.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 118.617 0.644 . . . . 25.0 111.562 -176.405 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -113.69 -147.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.191 -2.151 . . . . 25.0 105.191 172.586 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -120.09 161.83 20.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 177.352 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.9 m -145.89 136.28 12.11 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 104.071 -2.566 . . . . 25.0 104.071 175.262 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.62 166.92 23.28 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 116.096 -2.136 . . . . 50.0 113.635 -174.252 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.81 58.48 0.44 Allowed Glycine 0 C--O 1.218 -0.888 0 CA-C-N 114.881 -1.054 . . . . 25.0 111.375 -178.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -73.99 35.65 0.09 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -178.246 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.45 -13.42 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-O 123.574 1.654 . . . . 50.0 109.342 -175.514 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.52 100.22 0.25 Allowed 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 111.949 -2.387 . . . . 25.0 111.361 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.3 p -152.7 -179.42 7.6 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 -176.099 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 m 3.61 75.67 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.136 0 N-CA-C 118.399 2.741 . . . . 25.0 118.399 178.39 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.04 -4.08 14.47 Favored 'Trans proline' 0 CA--C 1.514 -0.503 0 N-CA-C 115.088 1.149 . . . . 50.0 115.088 -176.262 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 70.88 -28.87 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 126.51 1.924 . . . . 50.0 113.652 -176.172 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.0 -27.96 72.1 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.042 -0.599 . . . . 25.0 112.838 176.418 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 pp -92.66 -28.54 16.61 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 117.371 0.585 . . . . 50.0 110.772 177.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -78.34 -29.5 47.63 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.002 0.906 . . . . 25.0 109.978 -174.917 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -129.06 76.64 78.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.272 -1.01 . . . . 50.0 108.272 174.674 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -70.28 -24.34 27.4 Favored 'Trans proline' 0 C--O 1.215 -0.668 0 N-CA-C 113.019 0.354 . . . . 50.0 113.019 -177.202 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.438 -0.579 . . . . 25.0 109.438 177.051 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.82 -39.64 76.38 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 109.824 -0.436 . . . . 50.0 109.824 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.96 -44.09 90.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.445 -0.502 . . . . 75.0 110.426 178.036 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -56.53 -45.03 81.34 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 176.256 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -43.17 90.66 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.228 0.455 . . . . 50.0 112.228 -177.783 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.0 -48.56 81.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.415 0.626 . . . . 50.0 109.421 177.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.74 -42.25 96.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.381 -0.827 . . . . 50.0 111.913 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.54 -37.27 85.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 50.0 110.537 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.55 -14.86 57.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.654 -179.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -108.39 99.98 35.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.298 0.481 . . . . 50.0 112.298 -173.764 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.57 -25.37 55.01 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 N-CA-C 115.234 1.205 . . . . 50.0 115.234 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -76.08 -43.1 45.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.466 0.65 . . . . 25.0 111.026 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.38 -39.49 62.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.599 . . . . 50.0 109.462 -174.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -29.28 70.15 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.752 -0.593 . . . . 50.0 110.419 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 t -74.67 -42.23 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.068 0.547 . . . . 25.0 111.336 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.42 -32.5 73.43 Favored 'General case' 0 CA--C 1.481 -1.701 0 O-C-N 121.527 -0.733 . . . . 50.0 109.142 177.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -64.92 -45.15 87.06 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 115.095 -0.957 . . . . 50.0 112.016 -179.249 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.51 -27.85 66.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 119.884 -0.726 . . . . 50.0 112.268 174.846 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -48.23 31.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.244 0.545 . . . . 50.0 111.807 177.279 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -93.26 -32.72 14.23 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.837 1.791 . . . . 50.0 115.837 -175.307 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -131.07 67.62 80.97 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 112.991 0.738 . . . . 50.0 112.991 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -55.32 -35.23 91.05 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 118.16 2.331 . . . . 50.0 118.16 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -69.4 -28.54 26.88 Favored 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 112.395 -4.603 . . . . 50.0 115.648 177.909 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.5 tp -75.51 -35.13 60.83 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.711 -1.243 . . . . 50.0 108.305 174.213 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -47.99 81.1 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.816 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.67 -31.47 70.72 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.832 0.742 . . . . 50.0 110.619 -176.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.36 86.97 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.132 -0.486 . . . . 25.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.39 -42.86 82.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.983 -0.553 . . . . 50.0 110.24 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.99 -28.86 70.38 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.763 0.792 . . . . 50.0 110.049 -176.354 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -79.68 -14.95 58.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.818 -1.083 . . . . 50.0 112.513 -177.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.73 -30.58 3.47 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.648 0.619 . . . . 25.0 114.648 178.042 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.77 109.56 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.268 0.556 . . . . 50.0 112.447 -178.742 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.8 -33.86 76.08 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 106.726 -1.583 . . . . 50.0 106.726 176.205 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.62 -54.29 39.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 50.0 111.795 179.243 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -73.37 -32.84 64.74 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 120.528 -0.469 . . . . 50.0 110.242 -177.909 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.01 -51.71 65.77 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 123.116 0.26 . . . . 50.0 110.604 177.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 t -65.0 -40.79 95.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.916 0.389 . . . . 50.0 110.087 -178.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -49.85 72.35 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.278 -0.569 . . . . 50.0 111.231 -178.821 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.5 -29.38 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.321 -0.622 . . . . 50.0 109.321 -178.423 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.3 tp -60.24 -41.45 93.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.386 -0.598 . . . . 50.0 109.386 176.476 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.13 -37.13 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 122.395 -0.19 . . . . 50.0 110.797 178.3 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -58.06 -41.17 82.75 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.63 -0.878 . . . . 50.0 108.63 174.659 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.2 -34.01 74.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 119.162 -0.447 . . . . 50.0 111.552 176.459 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -63.06 -40.57 98.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.079 0.854 . . . . 50.0 110.348 176.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.3 -39.97 96.06 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.73 -0.47 . . . . 50.0 109.73 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -78.1 -40.41 38.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.019 0.748 . . . . 50.0 113.019 -175.64 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -63.85 -42.16 97.62 Favored 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 120.355 -0.538 . . . . 50.0 110.056 -179.001 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.82 59.59 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 123.94 0.775 . . . . 25.0 113.003 179.698 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -66.15 -48.85 69.43 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.026 0.441 . . . . 50.0 111.763 -179.566 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -77.46 -26.51 51.52 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.466 0.651 . . . . 50.0 110.675 -179.744 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.77 -30.89 69.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.358 -0.837 . . . . 50.0 112.646 -179.321 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -54.37 -38.78 66.51 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.92 0.39 . . . . 50.0 111.149 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -79.34 -31.3 43.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.326 0.491 . . . . 50.0 112.326 177.061 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -66.72 -47.68 71.58 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.09 -0.381 . . . . 50.0 111.916 -178.677 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.3 pt -60.76 -18.41 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 113.748 1.018 . . . . 50.0 113.748 -174.66 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -65.33 -17.12 64.27 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.332 0.864 . . . . 50.0 113.332 178.199 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 tt -146.91 -42.59 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.822 0.82 . . . . 50.0 112.563 -177.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -106.25 -171.74 1.95 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.423 -0.808 . . . . 50.0 110.199 -175.811 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 82' ' ' ASP . 68.6 m 60.13 37.47 20.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.925 1.824 . . . . 50.0 115.925 171.868 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.89 39.77 0.5 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 170.391 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.42 ' H ' ' C ' ' A' ' 80' ' ' SER . 64.2 m-20 -79.16 145.82 65.8 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.703 -0.68 . . . . 50.0 110.034 -172.887 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.49 171.51 17.92 Favored 'Trans proline' 0 C--N 1.349 0.563 0 N-CA-C 114.64 0.977 . . . . 50.0 114.64 -177.151 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -117.27 9.16 13.35 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.662 -0.699 . . . . 50.0 111.169 -178.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.0 t0 62.15 108.97 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 125.206 1.402 . . . . 50.0 112.139 -173.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.49 -29.04 69.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.872 -1.058 . . . . 50.0 111.976 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.89 -49.58 10.84 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.283 -0.636 . . . . 50.0 109.283 176.21 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 42.7 46.7 4.46 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 122.544 1.164 . . . . 25.0 111.369 -176.67 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -71.73 169.25 16.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 115.682 1.734 . . . . 50.0 115.682 -171.532 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.19 132.74 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.575 1.695 . . . . 25.0 115.575 176.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -136.71 -168.37 2.25 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 107.351 -1.351 . . . . 50.0 107.351 -177.739 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.9 mt -109.11 109.21 27.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.54 -1.652 . . . . 50.0 106.54 -177.85 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.42 134.48 45.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 50.0 109.632 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -154.89 151.21 28.29 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 -178.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -146.49 43.19 1.19 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 106.957 -1.497 . . . . 50.0 106.957 168.47 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.3 mm -82.76 61.75 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 107.112 -1.44 . . . . 50.0 107.112 -178.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -78.72 28.67 0.2 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.459 -1.246 . . . . 50.0 114.019 -173.22 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 . . . . . 0 C--O 1.211 -0.944 0 CA-C-O 125.041 2.353 . . . . 25.0 110.851 -177.814 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.503 2.221 0 N-CA-C 115.691 1.737 . . . . 25.0 115.691 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 59.61 -176.12 0.1 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 113.777 -1.556 . . . . 25.0 111.382 -177.044 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -150.32 156.4 41.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.436 -2.061 . . . . 25.0 105.436 178.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 m -86.47 140.26 30.12 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 176.474 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -159.24 164.54 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.568 -0.901 . . . . 25.0 108.568 179.457 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -148.04 151.62 36.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.795 -1.928 . . . . 25.0 105.795 175.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.1 m -122.78 83.45 49.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 -176.232 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.52 160.28 47.04 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 116.844 -1.637 . . . . 50.0 110.613 176.716 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.11 40.89 3.17 Favored Glycine 0 C--N 1.315 -0.614 0 N-CA-C 107.501 -2.24 . . . . 25.0 107.501 -173.798 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -72.09 41.45 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.808 1.643 . . . . 25.0 114.493 -174.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -93.21 2.96 8.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 123.331 1.539 . . . . 50.0 110.535 -177.131 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.1 t -70.55 154.91 41.38 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 113.816 -1.538 . . . . 25.0 112.239 -178.753 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -128.87 7.07 5.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.817 -1.083 . . . . 25.0 108.233 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 m 49.5 58.56 17.62 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 114.772 -1.103 . . . . 25.0 113.783 -174.347 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.63 -23.74 42.4 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 117.498 -1.202 . . . . 50.0 113.987 -177.275 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -63.63 -16.23 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.408 -0.36 . . . . 50.0 111.699 178.314 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -114.1 -32.89 1.92 Allowed Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.084 -0.579 . . . . 25.0 113.161 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -38.97 53.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.282 -0.266 . . . . 50.0 110.282 -177.247 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -83.26 -37.1 23.96 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -112.17 82.88 4.65 Favored Pre-proline 0 N--CA 1.435 -1.197 0 N-CA-C 116.03 1.863 . . . . 50.0 116.03 -173.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -63.62 -24.44 69.65 Favored 'Trans proline' 0 C--O 1.216 -0.623 0 C-N-CA 117.976 -0.883 . . . . 50.0 112.789 173.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.94 82.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 -178.814 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 mt -68.56 -45.68 71.48 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.89 -0.411 . . . . 50.0 109.89 178.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.79 -39.77 95.06 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.852 -0.339 . . . . 50.0 111.456 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -58.77 -45.11 90.52 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.258 -1.016 . . . . 50.0 108.258 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.96 -42.52 76.51 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.548 -0.461 . . . . 50.0 111.252 -174.94 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.2 ttp -62.02 -42.52 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.771 0.428 . . . . 50.0 111.144 177.391 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -65.9 -42.82 89.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.88 0.371 . . . . 50.0 110.874 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.49 -38.23 89.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.251 0.548 . . . . 50.0 110.251 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.84 -15.64 59.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.27 -179.173 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -109.07 97.08 23.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.029 0.442 . . . . 50.0 111.642 -174.856 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.73 -25.61 61.06 Favored 'Trans proline' 0 C--N 1.346 0.415 0 N-CA-C 114.961 1.1 . . . . 50.0 114.961 -175.226 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -75.95 -42.25 49.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.14 0.495 . . . . 25.0 110.951 178.879 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.59 -43.9 62.74 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 108.829 -0.804 . . . . 50.0 108.829 -175.277 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -30.16 66.43 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.845 -0.534 . . . . 50.0 111.367 177.359 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -74.66 -39.94 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.738 0.815 . . . . 25.0 111.298 179.301 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.74 -33.59 68.82 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 108.429 -0.952 . . . . 50.0 108.429 177.909 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.52 -46.54 89.77 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.15 -0.932 . . . . 50.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -65.94 -26.14 67.45 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.241 0.83 . . . . 50.0 113.241 174.745 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.74 -45.17 14.74 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.572 0.582 . . . . 50.0 112.572 178.35 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.23 -31.4 17.92 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.639 1.348 . . . . 50.0 114.639 -176.445 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.58 64.44 51.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 113.122 0.786 . . . . 50.0 113.122 -177.037 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.62 -34.33 82.73 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 N-CA-C 118.725 2.548 . . . . 50.0 118.725 -177.293 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.42 -33.49 23.04 Favored 'Trans proline' 0 C--N 1.361 1.204 1 C-N-CA 112.525 -4.516 . . . . 50.0 115.426 178.57 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.26 -33.59 61.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.719 -1.215 . . . . 75.0 107.719 176.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.62 -49.33 77.04 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 118.439 -0.791 . . . . 25.0 112.281 179.734 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.96 -31.51 71.85 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.585 1.084 . . . . 50.0 110.775 -176.106 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.9 -43.18 96.74 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.067 176.176 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.09 -43.37 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.698 179.01 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.49 -33.06 75.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.394 0.616 . . . . 50.0 110.599 -173.556 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.7 m -73.18 -21.97 60.57 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.288 -0.869 . . . . 50.0 112.074 -178.067 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.64 -20.3 32.2 Favored Glycine 0 CA--C 1.516 0.143 0 N-CA-C 114.896 0.718 . . . . 25.0 114.896 177.884 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.62 119.25 11.41 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 118.164 0.982 . . . . 50.0 111.481 -178.394 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.5 -35.11 78.5 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.106 -0.638 . . . . 50.0 109.846 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.97 -46.58 84.91 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.837 -0.745 . . . . 50.0 111.084 178.885 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 18.7 ptmt -70.68 -37.44 73.64 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 109.206 -0.664 . . . . 50.0 109.206 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -62.47 -49.85 73.78 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.298 -0.561 . . . . 50.0 111.371 178.173 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -67.02 -38.89 86.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.794 0.665 . . . . 50.0 112.794 -179.127 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.77 -45.08 83.86 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.529 -0.545 . . . . 50.0 109.529 -178.703 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.17 -34.27 68.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.209 -0.663 . . . . 50.0 109.209 177.463 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.7 tp -53.84 -43.53 69.56 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 122.157 -0.34 . . . . 75.0 110.833 177.661 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.74 -44.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 117.994 0.361 . . . . 50.0 111.167 177.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -60.0 -37.7 80.44 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.716 0.77 . . . . 50.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -68.79 -44.51 73.45 Favored 'General case' 0 C--O 1.198 -1.656 0 CA-C-O 118.375 -0.821 . . . . 50.0 110.651 175.736 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 119.927 1.239 . . . . 50.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -62.22 -39.64 93.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.509 0.671 . . . . 50.0 110.533 178.581 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -78.06 -36.5 48.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.68 0.753 . . . . 50.0 112.356 -178.234 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -65.83 -36.49 83.61 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 109.174 -0.676 . . . . 50.0 109.174 -179.392 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.06 -31.02 60.83 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.069 0.461 . . . . 25.0 111.943 176.705 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -74.44 -31.37 62.25 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.115 -0.366 . . . . 50.0 111.425 178.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -81.15 -30.67 34.4 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 120.829 0.347 . . . . 50.0 110.729 177.527 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.56 -30.86 44.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.743 -0.662 . . . . 50.0 112.499 -179.424 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -58.16 -40.49 81.53 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.132 -0.485 . . . . 50.0 111.162 176.782 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -75.18 -35.63 61.54 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.232 0.456 . . . . 50.0 112.232 172.179 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -63.18 -27.83 69.63 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 114.555 1.317 . . . . 50.0 114.555 -172.444 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.1 pt -64.77 -18.82 24.22 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 121.543 0.687 . . . . 50.0 112.342 176.611 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.1 ttp-105 -76.92 -10.54 59.44 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.366 -0.834 . . . . 50.0 111.021 175.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.3 tp -118.85 167.0 12.12 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 105.429 -2.063 . . . . 50.0 105.429 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -71.35 -30.12 65.78 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 112.857 0.688 . . . . 50.0 112.857 -175.929 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.6 m 47.08 47.92 15.87 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.418 -1.265 . . . . 50.0 112.344 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.41 54.97 2.14 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.048 0.939 . . . . 25.0 109.835 -178.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -62.63 119.79 53.95 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.741 -1.118 . . . . 50.0 108.309 -177.675 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -90.3 -174.36 0.77 Allowed 'Trans proline' 0 CA--C 1.536 0.588 0 N-CA-C 115.193 1.19 . . . . 50.0 115.193 -172.057 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 72.94 23.65 2.74 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.913 1.82 . . . . 50.0 115.913 169.342 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -87.21 63.93 8.07 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.942 -1.873 . . . . 50.0 105.942 169.281 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.82 -34.88 72.16 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.938 -1.028 . . . . 50.0 110.597 -173.892 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -80.89 -48.99 11.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.407 0.622 . . . . 50.0 109.507 175.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 52.37 24.19 2.81 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 114.047 -1.433 . . . . 25.0 113.201 -174.758 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -78.87 165.71 23.22 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.606 -0.516 . . . . 50.0 109.606 178.479 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -132.48 161.12 34.53 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.216 0.206 . . . . 25.0 110.748 -178.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.2 tttt 59.29 179.74 0.08 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.099 1.36 . . . . 50.0 114.14 178.487 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 85.5 mt -131.16 118.9 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 104.54 -2.393 . . . . 50.0 104.54 178.861 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.98 160.08 23.4 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.261 -0.274 . . . . 50.0 110.261 -178.27 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -148.09 126.1 12.06 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 174.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -114.23 40.49 2.5 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.352 1.072 . . . . 50.0 108.394 175.238 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.0 pt -72.61 24.02 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 114.729 1.381 . . . . 50.0 114.729 -176.069 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -82.94 2.67 33.48 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.343 1.068 . . . . 50.0 112.27 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--N 1.312 -1.052 0 CA-C-O 125.18 2.419 . . . . 25.0 111.48 -177.074 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.388 0 CA-C-O 124.013 1.863 . . . . 25.0 114.151 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -89.72 125.64 35.35 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 175.149 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -142.69 -47.28 0.33 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -179.356 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.8 t 63.03 176.48 0.15 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.17 0.988 . . . . 25.0 111.634 -174.779 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -171.61 148.22 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 176.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m 62.64 122.58 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.821 1.786 . . . . 25.0 115.821 177.989 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.3 t -127.05 73.88 76.8 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.834 -0.621 . . . . 25.0 112.064 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -78.45 164.65 26.1 Favored 'Trans proline' 0 C--N 1.347 0.499 0 CA-C-O 121.39 0.496 . . . . 50.0 112.624 179.306 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.37 27.44 4.45 Favored Glycine 0 C--O 1.227 -0.329 0 CA-C-N 115.292 -0.867 . . . . 25.0 111.105 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -71.18 24.37 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.925 1.454 . . . . 25.0 114.925 -175.145 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -87.29 7.16 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 C-N-CA 124.846 1.259 . . . . 50.0 110.971 -174.057 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -154.76 152.94 30.47 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.281 -0.872 . . . . 25.0 110.479 -179.381 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -151.79 107.35 3.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.337 . . . . 25.0 111.338 178.669 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 t 29.61 61.1 0.85 Allowed Pre-proline 0 N--CA 1.483 1.178 0 N-CA-C 116.076 1.88 . . . . 25.0 116.076 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -68.64 -29.47 29.79 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 115.36 -2.627 . . . . 50.0 113.105 -177.459 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -15.35 60.33 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 122.087 -0.383 . . . . 50.0 110.611 177.866 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.65 -18.24 75.91 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 111.433 -0.667 . . . . 25.0 111.433 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.64 -37.55 70.85 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.766 -0.827 . . . . 50.0 108.766 176.029 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.83 -35.34 44.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.853 -1.067 . . . . 25.0 110.098 179.064 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -112.08 88.38 10.19 Favored Pre-proline 0 C--O 1.243 0.725 0 CA-C-N 115.104 -0.953 . . . . 50.0 111.793 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 30.1 Cg_endo -60.15 -27.21 84.41 Favored 'Trans proline' 0 C--O 1.217 -0.562 0 C-N-CA 117.747 -1.035 . . . . 50.0 111.904 171.524 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.95 87.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.63 0.253 . . . . 25.0 111.058 179.429 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.58 -41.51 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.546 -0.752 . . . . 50.0 110.782 -177.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.77 -39.15 90.74 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.47 -0.492 . . . . 50.0 110.357 -179.118 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -43.21 93.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 175.592 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -64.87 -46.19 82.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.227 0.537 . . . . 50.0 111.201 -177.611 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -60.67 -48.37 82.07 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.892 -0.595 . . . . 50.0 110.162 178.08 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.052 0.76 . . . . 50.0 113.052 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.89 -34.63 78.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.565 -0.454 . . . . 50.0 110.445 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.5 -15.37 56.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -109.62 102.18 49.02 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 112.1 0.407 . . . . 50.0 112.1 -173.251 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.73 -25.07 46.72 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 N-CA-C 115.101 1.154 . . . . 50.0 115.101 -177.306 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -77.63 -44.35 28.48 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.726 -0.608 . . . . 25.0 110.839 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.83 76.77 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.518 -0.919 . . . . 50.0 108.518 -175.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -30.41 69.95 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.491 -0.756 . . . . 50.0 111.106 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -74.32 -46.75 38.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.642 0.377 . . . . 25.0 110.809 179.147 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.05 -29.85 70.77 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 119.921 -0.712 . . . . 50.0 109.987 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.67 -42.2 74.48 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 113.016 0.747 . . . . 50.0 113.016 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.06 -26.27 66.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 119.779 -0.768 . . . . 50.0 110.703 175.048 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.75 -53.42 8.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.683 0.253 . . . . 50.0 111.683 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -80.7 -29.47 36.46 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.07 1.878 . . . . 50.0 116.07 -175.643 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.09 69.22 41.72 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 114.324 1.231 . . . . 50.0 114.324 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -55.86 -35.76 94.4 Favored 'Trans proline' 0 CA--C 1.552 1.404 0 N-CA-C 118.424 2.432 . . . . 50.0 118.424 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.05 -28.92 28.08 Favored 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 112.519 -4.52 . . . . 50.0 115.817 178.016 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -75.49 -35.58 60.78 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.204 . . . . 50.0 108.324 175.344 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.17 77.24 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.203 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.29 -31.37 69.06 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.205 0.911 . . . . 50.0 111.384 -177.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.23 96.87 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.092 0.472 . . . . 25.0 110.743 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.75 -44.13 67.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.604 -0.726 . . . . 50.0 110.506 178.174 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.36 -29.7 70.96 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.781 0.801 . . . . 50.0 110.213 -175.715 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 15.4 t -76.31 -18.7 58.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.984 -1.007 . . . . 50.0 112.315 -178.114 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.78 -23.68 18.84 Favored Glycine 0 C--O 1.23 -0.143 0 N-CA-C 114.873 0.709 . . . . 25.0 114.873 174.667 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -68.83 114.66 7.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.989 0.423 . . . . 50.0 111.764 -178.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.74 -34.99 79.12 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.714 -0.847 . . . . 50.0 108.714 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.81 -51.69 68.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.825 -0.35 . . . . 50.0 110.563 -178.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -67.03 -35.44 79.9 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 119.866 -0.734 . . . . 50.0 110.731 178.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.82 -50.27 72.96 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 120.586 -0.446 . . . . 50.0 110.767 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -62.44 -43.0 99.87 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.067 0.547 . . . . 50.0 111.788 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -62.78 -45.31 93.25 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 116.247 -0.433 . . . . 50.0 110.228 -178.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.38 -32.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.24 -47.56 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.924 -0.485 . . . . 75.0 111.861 179.436 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.57 -34.36 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.06 -0.656 . . . . 50.0 111.048 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.76 -43.39 98.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 50.0 108.989 176.079 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.99 -33.46 74.67 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 115.723 -0.672 . . . . 50.0 111.086 178.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -66.71 -38.65 87.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.758 0.708 . . . . 50.0 110.196 176.385 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -64.97 -39.16 93.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.191 -0.318 . . . . 50.0 110.893 178.629 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.98 -36.54 59.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.578 0.704 . . . . 50.0 110.561 179.356 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -59.25 -43.41 92.45 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 109.717 -0.475 . . . . 50.0 109.717 176.673 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.68 -30.71 44.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.992 0.367 . . . . 25.0 111.992 -176.71 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -70.4 -49.59 47.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.814 0.34 . . . . 50.0 110.761 178.597 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -81.19 -27.39 35.38 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.621 1.341 . . . . 50.0 114.621 -175.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -64.07 -27.58 69.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 120.661 0.267 . . . . 50.0 110.391 -176.35 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -54.45 -36.57 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.375 -0.375 . . . . 50.0 111.211 175.12 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.87 -36.45 36.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.911 0.386 . . . . 50.0 111.253 175.916 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -67.77 -34.6 77.12 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 112.897 0.703 . . . . 50.0 112.897 -174.129 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.5 pt -68.2 -15.23 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.772 -0.371 . . . . 50.0 111.787 178.327 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -82.97 -30.17 28.47 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.65 0.982 . . . . 50.0 113.65 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.9 tp -158.63 151.15 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.539 0.57 . . . . 50.0 112.539 -171.263 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 64.1 -167.6 0.21 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.815 1.646 . . . . 50.0 112.577 -177.594 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -143.54 161.08 39.39 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 103.195 -2.891 . . . . 50.0 103.195 178.831 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.68 38.16 0.19 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 -176.12 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.43 148.97 38.71 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 115.067 -0.969 . . . . 50.0 111.717 -167.227 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.4 164.23 24.12 Favored 'Trans proline' 0 C--N 1.351 0.682 0 O-C-N 121.738 0.336 . . . . 50.0 112.041 178.737 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.406 ' C ' ' H ' ' A' ' 86' ' ' LEU . 51.7 p90 -119.36 14.0 12.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.969 0.89 . . . . 50.0 109.34 178.94 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.35 35.79 0.18 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.289 -0.869 . . . . 50.0 112.297 -177.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.406 ' H ' ' C ' ' A' ' 84' ' ' PHE . 46.1 mt -70.45 -32.76 70.46 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.488 -0.93 . . . . 50.0 108.488 -179.794 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.46 -19.28 62.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.614 -0.721 . . . . 50.0 111.426 176.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.58 -0.07 45.2 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 -177.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -91.12 132.81 35.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.188 0.518 . . . . 50.0 111.348 -178.212 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.31 165.14 26.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.947 -0.76 . . . . 25.0 108.947 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -81.94 159.26 23.64 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.739 -0.838 . . . . 50.0 108.739 177.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.9 mt -119.14 101.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.63 -0.878 . . . . 50.0 108.63 176.797 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -139.0 143.81 38.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 104.826 -2.287 . . . . 50.0 104.826 176.472 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -148.88 155.94 41.59 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 107.549 -1.278 . . . . 25.0 107.549 -178.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 96' ' ' ILE . 6.5 p-10 -128.26 -134.92 0.23 Allowed 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.721 -1.214 . . . . 50.0 107.721 174.395 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.441 ' H ' ' CG ' ' A' ' 95' ' ' ASP . 3.9 mt 45.32 41.77 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.608 1.163 . . . . 50.0 109.983 -177.324 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -76.72 43.81 0.35 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 122.439 1.114 . . . . 50.0 113.929 -173.61 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 C--O 1.212 -0.898 0 CA-C-O 123.231 1.491 . . . . 25.0 112.077 177.428 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 125.265 2.459 . . . . 25.0 112.444 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -131.32 73.24 1.53 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 112.823 -1.989 . . . . 25.0 109.238 -179.371 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -127.57 170.01 13.1 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 -178.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 63.82 25.44 14.07 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.626 0.77 . . . . 25.0 111.394 -178.924 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -79.51 120.62 24.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 176.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m 50.25 35.04 9.66 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.134 0.974 . . . . 25.0 111.564 -179.205 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 p -154.26 158.89 32.41 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 106.022 -1.844 . . . . 25.0 106.022 -177.008 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -74.71 179.0 6.42 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 117.315 -1.323 . . . . 50.0 112.568 -178.654 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.5 45.31 0.46 Allowed Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.383 -1.087 . . . . 25.0 110.383 -178.785 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' C ' ' H ' ' A' ' 12' ' ' THR . 0.7 OUTLIER -83.16 22.09 1.02 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -174.753 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.38 20.92 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.645 0 C-N-CA 125.526 1.53 . . . . 50.0 110.827 176.735 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.412 ' H ' ' C ' ' A' ' 10' ' ' GLU . 61.5 p -70.34 137.83 50.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.455 -172.801 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.9 t -156.02 159.79 39.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 -179.584 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.492 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 5.1 p -143.38 -43.97 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 113.943 1.09 . . . . 25.0 113.943 176.846 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.492 ' HD2' ' H ' ' A' ' 14' ' ' SER . 94.3 Cg_endo -72.17 -25.91 18.49 Favored 'Trans proline' 0 C--N 1.36 1.141 1 C-N-CA 112.693 -4.405 . . . . 50.0 114.378 -178.645 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.85 -25.1 65.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.4 0.619 . . . . 50.0 109.698 177.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.73 2.97 87.35 Favored Glycine 0 C--O 1.226 -0.384 0 CA-C-N 116.05 -0.523 . . . . 25.0 113.758 179.466 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.34 -37.63 71.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.966 -0.753 . . . . 50.0 108.966 178.522 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -84.51 -26.59 27.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.038 0.923 . . . . 25.0 109.421 179.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -118.42 77.4 13.62 Favored Pre-proline 0 C--O 1.241 0.623 0 CA-C-N 115.34 -0.846 . . . . 50.0 113.115 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -61.81 -31.32 85.35 Favored 'Trans proline' 0 C--O 1.215 -0.64 0 O-C-N 121.675 0.303 . . . . 50.0 112.104 174.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.41 93.17 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.391 -0.193 . . . . 25.0 110.829 -179.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.68 -38.41 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.086 -0.339 . . . . 50.0 110.086 -177.818 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.8 -40.95 92.42 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.967 -0.293 . . . . 50.0 110.507 179.363 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.24 -44.68 92.34 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.58 -0.896 . . . . 50.0 108.58 176.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -43.55 93.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.089 -0.505 . . . . 50.0 112.357 -177.305 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.02 -43.48 98.59 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.996 0.426 . . . . 50.0 110.998 176.726 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.23 -40.24 93.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.259 -0.428 . . . . 50.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.38 -33.34 75.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.94 0.4 . . . . 50.0 110.62 178.325 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.0 -16.38 47.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -113.35 107.38 53.63 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.32 0.859 . . . . 50.0 113.32 -171.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.83 -30.5 40.52 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 N-CA-C 116.537 1.706 . . . . 50.0 116.537 -174.98 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -76.08 -37.39 58.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.643 1.211 . . . . 25.0 110.369 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.34 58.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.184 -0.917 . . . . 50.0 109.588 -174.812 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -30.5 61.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.346 -0.388 . . . . 50.0 111.221 175.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.4 p -74.76 -40.25 61.32 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 122.259 -0.275 . . . . 25.0 111.268 -179.15 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.22 -31.76 73.08 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.094 0.949 . . . . 50.0 109.444 176.582 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.19 -43.95 80.87 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.736 -1.12 . . . . 50.0 112.121 -177.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.2 -29.56 68.44 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.087 -0.645 . . . . 50.0 111.427 175.432 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.36 -51.93 13.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.236 0.458 . . . . 50.0 112.236 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -91.89 -23.69 19.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.812 1.782 . . . . 50.0 115.812 -174.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -135.97 66.3 61.07 Favored Pre-proline 0 N--CA 1.482 1.168 0 N-CA-C 114.261 1.208 . . . . 50.0 114.261 177.651 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.37 -35.18 83.5 Favored 'Trans proline' 0 CA--C 1.555 1.532 0 N-CA-C 118.912 2.62 . . . . 50.0 118.912 -178.336 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.17 -31.85 22.28 Favored 'Trans proline' 0 C--N 1.361 1.214 1 C-N-CA 112.653 -4.432 . . . . 50.0 115.728 178.16 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -75.45 -31.34 60.27 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.02 -1.104 . . . . 50.0 108.02 175.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.99 -49.38 72.69 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.658 -0.687 . . . . 25.0 112.641 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -32.14 70.27 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.153 0.888 . . . . 50.0 110.888 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.528 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.69 -43.99 97.39 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.634 -0.712 . . . . 25.0 112.268 174.569 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.99 -43.38 87.94 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.315 -0.857 . . . . 50.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.3 mt -63.41 -32.41 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.307 0.575 . . . . 50.0 110.668 -174.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.8 m -70.31 -24.61 63.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.529 -0.759 . . . . 50.0 111.88 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.31 -15.63 38.77 Favored Glycine 0 CA--C 1.518 0.225 0 CA-C-N 116.312 -0.403 . . . . 25.0 112.224 -177.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -65.94 113.63 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 50.0 110.95 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -65.7 -36.3 83.24 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 109.639 -0.504 . . . . 50.0 109.639 177.183 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.83 -52.04 67.13 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.894 -0.504 . . . . 50.0 110.866 -177.436 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.528 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.0 ptmt -66.21 -36.5 83.2 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.727 -0.654 . . . . 50.0 109.378 179.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.61 -52.08 65.84 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 118.383 0.538 . . . . 50.0 112.145 176.274 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.4 t -63.63 -38.45 91.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.157 0.503 . . . . 50.0 112.054 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -48.58 72.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.695 -0.483 . . . . 50.0 109.695 -178.596 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.26 33.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.558 -0.904 . . . . 50.0 108.558 -178.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.9 tp -59.83 -47.72 84.56 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.782 -0.574 . . . . 75.0 111.206 178.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.19 -34.08 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.253 -0.579 . . . . 50.0 110.886 -178.821 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.41 -41.53 98.73 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.226 -0.657 . . . . 50.0 109.226 175.54 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -64.46 -38.75 92.11 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-O 119.275 -0.393 . . . . 50.0 110.751 176.044 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.61 -42.18 98.51 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.897 0.771 . . . . 50.0 110.615 178.163 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -64.15 -38.77 92.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.095 0.474 . . . . 50.0 110.73 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -75.55 -35.19 60.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.79 0.805 . . . . 50.0 111.324 -179.421 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -63.04 -41.34 99.48 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-N 116.054 -0.521 . . . . 50.0 110.392 178.957 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.56 -30.9 61.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.585 0.553 . . . . 25.0 111.941 -178.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -66.74 -49.55 65.62 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 121.011 0.434 . . . . 50.0 111.402 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -79.75 -26.53 40.72 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.358 0.503 . . . . 50.0 112.358 -177.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -30.62 45.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.388 0.514 . . . . 50.0 112.388 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -57.29 -36.52 71.16 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.271 0.558 . . . . 50.0 111.628 177.692 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.19 -36.14 61.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.706 0.765 . . . . 50.0 109.938 177.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -68.86 -37.55 79.16 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 112.825 0.676 . . . . 50.0 112.825 -176.78 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.5 pt -71.9 -18.72 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 120.778 -0.369 . . . . 50.0 111.563 179.065 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -24.33 54.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.552 0.215 . . . . 50.0 110.54 176.795 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.38 169.42 17.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.228 -0.295 . . . . 50.0 111.347 -177.294 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 55.51 -146.77 0.55 Allowed 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 107.648 -1.242 . . . . 50.0 107.648 -174.119 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 m 52.45 47.22 25.17 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.07 0.85 . . . . 50.0 111.552 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 78.1 14.96 1.47 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.529 1.931 . . . . 25.0 115.737 -178.278 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.85 166.33 12.1 Favored Pre-proline 0 C--O 1.245 0.84 0 N-CA-C 103.316 -2.846 . . . . 50.0 103.316 164.603 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.78 164.25 32.18 Favored 'Trans proline' 0 C--N 1.349 0.605 0 N-CA-C 115.909 1.465 . . . . 50.0 115.909 -173.731 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -110.74 -4.6 15.25 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 123.467 1.603 . . . . 50.0 111.485 -177.199 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -102.13 41.93 1.18 Allowed 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 112.188 -2.278 . . . . 50.0 107.601 -176.395 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -34.25 74.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.726 -1.124 . . . . 50.0 111.889 179.301 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -84.53 -51.06 7.17 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.765 -0.374 . . . . 50.0 110.559 176.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.18 6.77 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 118.715 2.857 . . . . 25.0 118.715 178.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.82 9.91 28.31 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 114.402 1.26 . . . . 50.0 114.402 -175.551 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 49.02 103.26 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 113.356 -1.747 . . . . 25.0 115.011 -177.604 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -67.52 150.46 48.82 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.498 -1.228 . . . . 50.0 111.893 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.8 mt -129.24 121.49 53.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 102.899 -3.0 . . . . 50.0 102.899 174.241 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -134.09 166.43 22.77 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.57 -1.27 . . . . 50.0 107.57 -176.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -123.09 153.14 40.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 176.887 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -124.26 68.89 1.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.664 -0.865 . . . . 50.0 108.664 178.072 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.6 mm -83.99 54.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.558 1.171 . . . . 50.0 108.25 -178.48 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -82.96 45.56 1.02 Allowed 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 122.723 1.249 . . . . 50.0 108.286 175.967 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 123.984 1.849 . . . . 25.0 111.576 -179.101 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.597 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.9 Cg_endo . . . . . 0 C--O 1.219 -0.433 0 N-CA-C 113.175 0.413 . . . . 25.0 113.175 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.92 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.868 0.366 . . . . 25.0 110.192 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.49 -39.29 67.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.688 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.77 -42.23 91.1 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.76 -0.376 . . . . 25.0 110.508 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.33 -43.85 88.42 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 108.46 -0.941 . . . . 25.0 108.46 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -46.63 85.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.638 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.65 -42.98 99.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.804 0.335 . . . . 25.0 110.999 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' A' ' 34' ' ' GLU . 12.7 mt -64.01 -42.65 97.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.337 -178.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.92 -35.12 79.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.913 0.387 . . . . 25.0 110.071 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -10.98 59.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -116.79 101.9 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -66.49 -24.74 48.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.646 1.364 . . . . 25.0 115.646 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.04 -43.35 44.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.731 0.777 . . . . 25.0 110.455 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HB3' HD23 ' A' ' 28' ' ' LEU . 4.9 mm-40 -70.9 -41.08 71.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.451 -0.795 . . . . 25.0 108.88 -174.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -30.3 71.26 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.916 -0.49 . . . . 25.0 110.872 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -74.67 -41.03 61.04 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.869 0.468 . . . . 25.0 111.412 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -33.73 74.38 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.2 tp -64.68 -44.23 90.99 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.366 -0.834 . . . . 25.0 112.048 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.02 -26.24 64.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.925 -0.71 . . . . 25.0 112.596 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.67 -51.89 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.242 0.544 . . . . 25.0 110.863 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -82.37 -34.09 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.75 1.389 . . . . 25.0 114.75 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -135.19 69.05 69.72 Favored Pre-proline 0 C--O 1.243 0.715 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -55.4 -35.8 92.6 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 N-CA-C 118.394 2.421 . . . . 25.0 118.394 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.22 -29.37 26.57 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.5 -4.534 . . . . 25.0 115.84 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.9 tp -75.51 -35.44 60.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 120.658 -1.276 . . . . 25.0 108.09 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.67 82.49 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 115.604 -0.725 . . . . 25.0 112.75 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -61.46 -31.29 71.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.929 0.786 . . . . 25.0 110.974 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.23 90.32 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.369 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.48 -42.46 74.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.362 -0.381 . . . . 25.0 110.507 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.76 -27.27 69.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.555 0.693 . . . . 25.0 110.343 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -78.19 -17.53 56.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.05 -0.977 . . . . 25.0 112.353 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.03 -31.82 4.24 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 114.757 0.663 . . . . 25.0 114.757 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -58.43 109.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.783 0.833 . . . . 25.0 112.466 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.42 -36.66 83.08 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.83 -44.07 86.21 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.776 -0.578 . . . . 25.0 112.307 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.22 -34.55 61.48 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.668 -0.645 . . . . 25.0 110.1 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.8 -49.88 75.72 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.555 -0.458 . . . . 25.0 110.004 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -62.92 -43.52 98.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.72 -47.7 83.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.318 . . . . 25.0 110.18 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.03 -32.6 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 21' ' ' PRO . 3.1 tp -57.12 -44.57 83.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.872 -0.517 . . . . 25.0 110.493 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.5 t -68.13 -43.16 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 120.655 0.264 . . . . 25.0 110.514 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.276 0.56 . . . . 25.0 110.185 178.897 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.581 ' HB3' HD22 ' A' ' 61' ' ' LEU . 39.4 Cg_endo . . . . . 0 C--O 1.219 -0.468 0 CA-C-O 121.111 0.379 . . . . 25.0 112.007 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.02 99.74 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.007 -0.433 . . . . 25.0 110.547 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.32 -34.46 48.59 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.459 -0.337 . . . . 25.0 111.244 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.23 -40.18 93.7 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.53 -41.86 90.97 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -66.56 -46.26 76.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 25.0 111.069 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.1 ttp -62.56 -41.17 98.74 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.739 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.1 -42.37 94.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.697 0.284 . . . . 25.0 111.452 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.85 -36.42 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 25.0 110.439 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.98 60.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.396 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -114.14 99.1 50.06 Favored Pre-proline 0 C--O 1.238 0.452 0 N-CA-C 112.478 0.548 . . . . 25.0 112.478 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.92 -26.47 59.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 N-CA-C 115.583 1.34 . . . . 25.0 115.583 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -77.02 -40.65 45.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.863 0.839 . . . . 25.0 110.946 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.82 -34.06 69.02 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.701 0.763 . . . . 25.0 109.271 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 -30.77 61.63 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.593 -0.692 . . . . 25.0 111.221 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.1 p -75.78 -39.5 56.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.154 -0.341 . . . . 25.0 111.783 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.96 -31.57 72.23 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -66.43 -43.23 86.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.409 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.95 -26.79 65.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.236 -0.586 . . . . 25.0 111.668 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.52 -52.97 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.175 0.512 . . . . 25.0 111.584 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -90.28 -24.65 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.775 1.768 . . . . 25.0 115.775 -170.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.89 67.21 41.68 Favored Pre-proline 0 C--O 1.241 0.618 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -56.31 -33.65 91.92 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 N-CA-C 118.362 2.409 . . . . 25.0 118.362 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -68.4 -29.44 31.38 Favored 'Trans proline' 0 C--N 1.363 1.321 1 C-N-CA 112.049 -4.834 . . . . 25.0 115.203 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -76.98 -36.0 56.77 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.963 -1.086 . . . . 25.0 108.545 175.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.32 73.93 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 120.097 -0.641 . . . . 25.0 112.231 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.68 -30.77 67.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.732 0.696 . . . . 25.0 111.199 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -65.39 -39.79 92.66 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.655 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.21 -45.94 65.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.838 -0.619 . . . . 25.0 110.168 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.96 -30.45 71.53 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 121.907 0.86 . . . . 25.0 110.266 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 t -73.53 -18.95 61.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.024 -0.989 . . . . 25.0 112.327 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.33 -20.72 15.83 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 113.993 0.357 . . . . 25.0 113.993 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -70.66 112.12 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.145 0.497 . . . . 25.0 111.701 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.75 -34.4 77.13 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.35 -52.02 66.13 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.557 0.694 . . . . 25.0 110.178 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -69.88 -34.88 74.15 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.817 -0.753 . . . . 25.0 110.666 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 81.0 t80 -61.87 -50.62 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.164 0.438 . . . . 25.0 111.196 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -61.67 -42.6 99.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.797 0.439 . . . . 25.0 111.577 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.66 -49.05 79.08 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.661 -0.649 . . . . 25.0 110.045 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.19 -32.2 54.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.9 tp -57.93 -43.69 86.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.727 -0.389 . . . . 25.0 111.208 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.82 -42.32 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.993 0.425 . . . . 25.0 110.393 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.604 0.716 . . . . 25.0 109.269 179.811 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.638 ' HB3' HD22 ' A' ' 61' ' ' LEU . 22.2 Cg_endo . . . . . 0 C--O 1.215 -0.63 0 N-CA-C 113.383 0.493 . . . . 25.0 113.383 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.82 89.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.198 -0.314 . . . . 25.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -38.94 66.43 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.857 -0.423 . . . . 25.0 109.857 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.56 -42.56 95.59 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.896 -0.322 . . . . 25.0 110.333 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -58.26 -44.99 88.61 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.7 -45.23 93.71 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.005 0.431 . . . . 25.0 111.155 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.1 ttp -64.24 -41.66 96.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.181 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.1 -40.68 90.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.763 0.316 . . . . 25.0 111.602 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.73 -36.23 82.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 25.0 109.872 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.79 -17.13 51.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -105.96 101.91 36.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 112.592 0.59 . . . . 25.0 112.592 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.96 -26.9 43.38 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 N-CA-C 115.409 1.273 . . . . 25.0 115.409 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -76.14 -43.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.612 -0.68 . . . . 25.0 110.932 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.55 -39.84 70.41 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.152 -0.684 . . . . 25.0 109.152 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -30.27 71.34 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.745 -0.597 . . . . 25.0 110.931 177.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -74.75 -41.05 60.83 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.084 0.554 . . . . 25.0 111.885 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.02 -33.79 75.27 Favored 'General case' 0 CA--C 1.479 -1.782 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.48 -46.21 87.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.314 -0.857 . . . . 25.0 111.954 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.47 -27.23 65.96 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 120.026 -0.67 . . . . 25.0 112.407 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -76.39 -47.58 22.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.621 0.6 . . . . 25.0 112.621 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.72 -33.46 16.58 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.749 1.388 . . . . 25.0 114.749 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -133.87 69.84 75.19 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.72 -37.03 91.77 Favored 'Trans proline' 0 CA--C 1.551 1.371 0 N-CA-C 118.533 2.474 . . . . 25.0 118.533 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.63 -29.64 24.18 Favored 'Trans proline' 0 C--N 1.361 1.222 1 C-N-CA 112.511 -4.526 . . . . 25.0 116.096 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.43 -33.46 60.91 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.707 -1.245 . . . . 25.0 107.943 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.09 -49.45 72.2 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 118.817 -0.611 . . . . 25.0 112.477 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.68 -32.51 70.56 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.812 0.733 . . . . 25.0 110.698 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.5 -45.25 93.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.886 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.43 -42.1 92.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.745 . . . . 25.0 110.081 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.3 mt -63.17 -29.92 71.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.267 0.556 . . . . 25.0 110.698 -174.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.8 m -74.47 -21.8 59.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.362 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.64 -17.2 31.66 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-O 121.144 0.302 . . . . 25.0 112.971 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 46.3 t0 -64.84 115.27 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 25.0 111.652 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.72 -36.46 82.52 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.851 -0.426 . . . . 25.0 109.851 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.68 -50.63 73.12 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.841 -0.537 . . . . 25.0 111.285 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.1 ptmt -67.71 -36.77 81.24 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.45 -50.75 66.3 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -63.6 -39.65 94.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.197 0.523 . . . . 25.0 110.95 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -49.6 65.77 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.2 -29.45 45.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 21' ' ' PRO . 3.7 tp -58.11 -43.9 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 122.152 -0.342 . . . . 25.0 110.382 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.35 -42.76 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.909 -0.404 . . . . 25.0 109.909 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.714 0.769 . . . . 25.0 109.331 178.799 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.667 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.8 Cg_endo . . . . . 0 C--O 1.216 -0.61 0 N-CA-C 113.377 0.491 . . . . 25.0 113.377 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.01 95.47 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.955 -0.298 . . . . 25.0 110.581 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -77.83 -34.48 51.92 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.673 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -66.1 -41.33 90.77 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.419 -0.513 . . . . 25.0 110.242 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -59.17 -42.86 91.78 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -45.53 86.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.79 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.89 -48.25 82.47 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.033 0.444 . . . . 25.0 110.292 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 34' ' ' GLU . 37.5 mt -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.55 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.26 -34.71 78.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.808 0.337 . . . . 25.0 110.518 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.01 -8.19 59.59 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -119.38 99.29 50.27 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.28 -24.71 57.77 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 N-CA-C 115.345 1.248 . . . . 25.0 115.345 -176.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -76.49 -42.65 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.618 0.723 . . . . 25.0 110.788 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB3' HD23 ' A' ' 28' ' ' LEU . 7.6 mm-40 -72.14 -37.94 69.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 25.0 109.466 -174.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -29.33 68.7 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.969 -0.457 . . . . 25.0 110.221 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -73.29 -45.93 52.68 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.678 0.391 . . . . 25.0 111.089 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -63.8 -29.92 71.07 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.087 -1.008 . . . . 25.0 110.318 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.67 -43.43 80.22 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 114.59 -1.186 . . . . 25.0 112.619 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -70.37 -28.22 64.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 119.677 -0.809 . . . . 25.0 111.217 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -72.87 -52.03 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.032 0.444 . . . . 25.0 111.116 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -90.39 -25.97 20.13 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.159 1.911 . . . . 25.0 116.159 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -136.87 68.72 58.24 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 113.411 0.893 . . . . 25.0 113.411 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.29 -35.37 91.22 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.604 2.502 . . . . 25.0 118.604 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.86 -28.86 29.27 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.411 -4.593 . . . . 25.0 115.681 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -75.68 -34.4 60.43 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.205 . . . . 25.0 108.174 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.9 78.55 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 112.917 0.71 . . . . 25.0 112.917 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.8 -31.39 69.65 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.952 0.797 . . . . 25.0 111.045 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.441 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.48 -38.7 91.93 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.616 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.1 tp -68.17 -42.51 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.172 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.82 -27.97 69.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 25.0 111.154 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 m -75.22 -20.44 59.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.727 -0.669 . . . . 25.0 112.21 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.5 -29.34 4.47 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-O 121.192 0.329 . . . . 25.0 112.601 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -55.21 102.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.729 1.212 . . . . 25.0 112.103 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.28 -35.35 77.08 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.2 -44.98 88.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.361 0.504 . . . . 25.0 112.361 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -76.74 -31.91 57.43 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 119.05 0.841 . . . . 25.0 110.299 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.434 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 82.6 t80 -60.31 -51.72 68.33 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.301 176.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -63.3 -38.97 93.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.867 0.365 . . . . 25.0 111.556 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -61.01 -49.03 79.07 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 110.368 -0.234 . . . . 25.0 110.368 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.92 -34.31 63.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 121.488 -0.757 . . . . 25.0 108.968 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.3 tp -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.086 -0.384 . . . . 25.0 111.186 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -74.4 -35.05 38.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 C-N-CA 120.436 -0.506 . . . . 25.0 111.199 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 N--CA 1.474 0.756 0 O-C-N 121.54 -0.725 . . . . 25.0 109.896 176.334 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.6 Cg_endo . . . . . 0 C--O 1.22 -0.388 0 N-CA-C 112.471 0.143 . . . . 25.0 112.471 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.47 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.245 -0.279 . . . . 25.0 110.245 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.17 -41.05 67.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 25.0 110.661 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 61' ' ' LEU . 10.8 tp -65.97 -40.26 91.1 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.362 -0.535 . . . . 25.0 110.669 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.94 -44.04 91.33 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.71 -45.59 82.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.004 0.43 . . . . 25.0 111.39 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.9 ttp -62.11 -40.7 96.77 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 121.0 0.428 . . . . 25.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.8 -43.66 95.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.951 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -64.45 -35.92 82.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 25.0 109.875 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.54 -14.57 59.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -110.28 99.02 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.936 0.398 . . . . 25.0 112.023 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.9 -23.97 54.13 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 115.086 1.149 . . . . 25.0 115.086 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -76.93 -44.42 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.266 0.555 . . . . 25.0 111.183 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.64 -41.41 72.19 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -28.75 70.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.631 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -75.15 -44.04 49.05 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.984 0.514 . . . . 25.0 111.016 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.8 -30.04 68.52 Favored 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 121.843 0.83 . . . . 25.0 109.185 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.4 tp -65.17 -45.26 85.63 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.703 -1.135 . . . . 25.0 111.543 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.1 -26.07 63.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 119.854 -0.738 . . . . 25.0 112.072 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.79 -52.14 12.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.208 0.528 . . . . 25.0 111.252 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -95.04 -21.35 18.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.179 1.918 . . . . 25.0 116.179 -171.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -135.88 65.6 59.92 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -55.75 -34.82 92.13 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 118.528 2.472 . . . . 25.0 118.528 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.04 -31.75 29.64 Favored 'Trans proline' 0 C--N 1.362 1.28 1 C-N-CA 112.722 -4.385 . . . . 25.0 115.467 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -76.0 -34.7 59.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 120.876 -1.14 . . . . 25.0 108.53 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.51 77.16 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.56 -31.42 70.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.749 0.704 . . . . 25.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.96 -40.05 94.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.48 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.12 -41.84 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.408 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.19 -28.18 69.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.096 0.474 . . . . 25.0 111.044 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -75.93 -19.69 58.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.445 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.38 -30.92 3.93 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 122.183 -0.323 . . . . 25.0 113.413 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -55.81 104.6 0.14 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.432 1.093 . . . . 25.0 112.54 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.43 -33.32 73.52 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.48 -52.51 61.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.081 0.467 . . . . 25.0 111.587 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.78 -34.02 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.401 -0.52 . . . . 25.0 110.626 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.69 -50.5 73.6 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.771 -0.372 . . . . 25.0 110.397 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.2 t -62.27 -44.83 95.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.9 -46.06 88.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.07 -0.394 . . . . 25.0 110.699 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.6 t -72.11 -32.48 43.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -57.99 -45.03 87.43 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 122.229 -0.294 . . . . 25.0 110.343 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.01 -42.92 89.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 25.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 . . . . . 0 C--N 1.321 -0.668 0 O-C-N 121.697 -0.627 . . . . 25.0 110.82 178.932 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.545 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.4 Cg_endo . . . . . 0 C--O 1.213 -0.754 0 N-CA-C 112.626 0.202 . . . . 25.0 112.626 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.49 89.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.486 0.184 . . . . 25.0 110.938 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.46 -40.09 67.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.861 0.362 . . . . 25.0 110.647 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.28 -40.35 90.01 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.814 -0.355 . . . . 25.0 110.882 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.14 -44.47 92.06 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -43.88 92.79 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.919 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.5 ttp -62.59 -43.83 97.84 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.75 0.31 . . . . 25.0 110.963 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.64 -42.3 98.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.778 0.323 . . . . 25.0 111.725 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.44 -35.76 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.061 0.458 . . . . 25.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -11.78 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.52 102.11 54.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 O-C-N 121.888 -0.507 . . . . 25.0 112.24 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -65.92 -25.67 52.2 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 115.245 1.21 . . . . 25.0 115.245 -176.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -76.09 -41.71 49.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.68 -0.638 . . . . 25.0 110.333 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.96 67.61 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.812 -0.811 . . . . 25.0 108.812 -174.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -30.33 71.52 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.42 -0.8 . . . . 25.0 111.045 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -74.73 -41.39 60.23 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 122.812 0.445 . . . . 25.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.77 -33.84 76.52 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 108.126 -1.065 . . . . 25.0 108.126 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.94 -43.9 91.23 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.894 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.43 -28.37 67.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.891 -0.724 . . . . 25.0 111.639 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -77.04 -51.88 10.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.201 0.524 . . . . 25.0 112.021 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.69 -34.32 46.23 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.187 1.18 . . . . 25.0 114.187 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -139.88 70.46 36.16 Favored Pre-proline 0 N--CA 1.474 0.734 0 N-CA-C 114.448 1.277 . . . . 25.0 114.448 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.41 -37.03 89.29 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 N-CA-C 118.451 2.443 . . . . 25.0 118.451 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.24 -28.37 23.01 Favored 'Trans proline' 0 C--N 1.36 1.152 1 C-N-CA 112.588 -4.474 . . . . 25.0 116.081 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.42 -32.4 60.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.633 -1.292 . . . . 25.0 107.838 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.93 -49.45 70.36 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-O 118.849 -0.596 . . . . 25.0 112.456 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.2 -31.92 70.61 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.14 0.882 . . . . 25.0 110.936 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.458 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.49 -44.69 93.62 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.859 -0.609 . . . . 25.0 111.515 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.26 -42.57 93.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.424 -0.807 . . . . 25.0 110.381 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.9 mt -62.33 -30.7 71.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.489 0.662 . . . . 25.0 110.716 -174.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.43 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 50.8 m -75.46 -22.58 57.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.389 -0.823 . . . . 25.0 112.528 -178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.15 -17.27 38.52 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 116.71 -0.223 . . . . 25.0 113.542 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.03 116.94 6.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.861 0.362 . . . . 25.0 111.201 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.25 -36.73 82.22 Favored 'General case' 0 C--O 1.21 -0.981 0 C-N-CA 120.415 -0.514 . . . . 25.0 109.808 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.7 -53.09 62.32 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.882 -0.511 . . . . 25.0 111.137 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.0 ptmt -63.88 -37.74 88.5 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.624 -0.703 . . . . 25.0 109.296 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -64.8 -50.49 66.56 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.8 t -62.08 -39.87 93.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.422 0.629 . . . . 25.0 111.509 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.4 -47.2 74.05 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.101 -0.5 . . . . 25.0 109.758 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.84 -30.6 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.644 -0.872 . . . . 25.0 108.644 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.6 tp -58.25 -47.87 82.18 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.102 -0.374 . . . . 25.0 111.824 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.06 -35.29 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.134 -0.626 . . . . 25.0 110.673 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.679 0.752 . . . . 25.0 109.169 177.839 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.544 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.5 Cg_endo . . . . . 0 C--O 1.216 -0.578 0 CA-C-O 120.37 0.071 . . . . 25.0 112.187 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.95 99.31 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.265 -0.272 . . . . 25.0 111.578 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -77.67 -37.75 49.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.271 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.3 tp -66.89 -41.12 87.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.161 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -54.48 -45.55 73.23 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.684 -0.488 . . . . 25.0 109.684 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.08 -42.66 84.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.024 0.44 . . . . 25.0 111.767 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.31 -49.01 79.29 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.512 0.672 . . . . 25.0 110.302 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.99 -42.1 97.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.137 -0.938 . . . . 25.0 112.065 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.76 -36.49 84.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.145 0.498 . . . . 25.0 110.394 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.38 -10.24 59.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.043 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -115.87 96.32 46.47 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.35 -25.36 64.01 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 N-CA-C 115.218 1.199 . . . . 25.0 115.218 -176.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.06 -42.28 48.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.465 0.65 . . . . 25.0 110.673 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.75 -40.85 69.08 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -30.22 71.3 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.056 -0.402 . . . . 25.0 110.813 178.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 t -72.73 -44.03 62.19 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 122.53 0.332 . . . . 25.0 110.958 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.96 -30.11 70.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 122.035 0.922 . . . . 25.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -67.15 -43.02 83.36 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.897 -1.047 . . . . 25.0 112.219 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.09 -27.16 65.35 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 119.869 -0.733 . . . . 25.0 111.774 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -74.87 -51.85 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.993 0.425 . . . . 25.0 111.449 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -87.56 -26.46 23.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.487 1.662 . . . . 25.0 115.487 -174.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -139.16 67.32 39.84 Favored Pre-proline 0 N--CA 1.474 0.735 0 N-CA-C 113.24 0.83 . . . . 25.0 113.24 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.61 -35.85 87.7 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.366 2.41 . . . . 25.0 118.366 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -69.61 -30.0 23.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 112.105 -4.796 . . . . 25.0 115.842 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -75.46 -32.43 60.62 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.756 -1.215 . . . . 25.0 108.006 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.76 79.68 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.68 -31.45 70.7 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.277 0.944 . . . . 25.0 110.671 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.514 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -61.2 -44.16 97.73 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 115.54 -0.754 . . . . 25.0 111.091 174.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.41 -40.88 89.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.768 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.83 -28.82 70.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.233 0.54 . . . . 25.0 111.162 -175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.1 m -76.45 -22.89 54.01 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.953 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -21.62 23.08 Favored Glycine 0 C--O 1.236 0.241 0 CA-C-N 116.526 -0.307 . . . . 25.0 112.757 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.9 t0 -62.8 116.98 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 122.761 0.424 . . . . 25.0 112.0 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.46 -37.39 82.87 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -51.16 70.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.577 -0.449 . . . . 25.0 109.934 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.8 ptmt -65.23 -36.38 83.98 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.133 -0.627 . . . . 25.0 110.615 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 77.6 t80 -61.54 -50.75 71.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 118.535 0.607 . . . . 25.0 111.264 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -63.74 -43.86 95.22 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 122.555 0.342 . . . . 25.0 111.423 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.29 -44.09 95.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.087 -0.383 . . . . 25.0 110.664 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.44 -34.25 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.2 tp -58.67 -41.44 86.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.993 -0.442 . . . . 25.0 109.887 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.0 t -68.96 -44.02 81.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 110.282 -0.266 . . . . 25.0 110.282 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.319 -0.736 0 O-C-N 121.679 -0.638 . . . . 25.0 110.876 178.332 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.534 ' HB3' HD22 ' A' ' 61' ' ' LEU . 37.7 Cg_endo . . . . . 0 C--O 1.213 -0.751 0 N-CA-C 111.689 -0.158 . . . . 25.0 111.689 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.378 -0.201 . . . . 25.0 111.293 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.03 -38.76 43.9 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.188 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.23 -39.35 89.51 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 120.831 -0.348 . . . . 25.0 110.705 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -56.52 -45.59 81.04 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.43 -44.12 79.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.466 . . . . 25.0 111.622 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -59.27 -49.4 77.99 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.243 0.544 . . . . 25.0 110.281 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 34' ' ' GLU . 9.6 mt -58.83 -43.58 90.68 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.117 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.27 -34.69 78.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.74 -0.384 . . . . 25.0 110.935 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.91 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.201 -0.454 . . . . 25.0 112.097 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -108.54 101.33 42.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.45 -25.74 48.17 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 N-CA-C 115.667 1.372 . . . . 25.0 115.667 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -76.13 -44.55 37.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.547 0.689 . . . . 25.0 109.884 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HB3' HD23 ' A' ' 28' ' ' LEU . 7.6 mm-40 -70.04 -39.13 75.93 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 -174.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.35 70.39 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.829 -0.544 . . . . 25.0 111.091 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.7 -42.45 58.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.764 0.426 . . . . 25.0 111.702 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.14 -31.25 70.69 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.91 0.862 . . . . 25.0 109.299 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.2 -44.98 82.35 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 115.092 -0.958 . . . . 25.0 111.865 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -69.99 -26.07 63.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 119.891 -0.724 . . . . 25.0 112.365 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.6 -51.84 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.513 . . . . 25.0 110.52 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -95.91 -26.23 15.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 116.338 1.977 . . . . 25.0 116.338 -170.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -134.95 68.28 70.65 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.13 -35.9 91.77 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 N-CA-C 118.249 2.365 . . . . 25.0 118.249 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.1 -30.01 26.07 Favored 'Trans proline' 0 C--N 1.362 1.276 1 C-N-CA 112.237 -4.709 . . . . 25.0 115.821 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.51 -34.84 60.85 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 120.887 -1.133 . . . . 25.0 107.962 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.36 75.13 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.47 -31.49 71.46 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.054 0.843 . . . . 25.0 110.99 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.02 -40.56 96.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.32 175.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.19 -42.67 83.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.476 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.02 -28.75 70.01 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.084 0.469 . . . . 25.0 111.074 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -75.72 -18.23 59.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.449 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.44 -30.95 3.95 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 113.949 0.34 . . . . 25.0 113.949 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.5 110.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.918 0.866 . . . . 25.0 112.592 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.17 -37.29 86.93 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.92 -43.37 91.1 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.969 -0.692 . . . . 25.0 111.997 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 20.0 ptmt -73.43 -36.32 65.92 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.653 -0.654 . . . . 25.0 110.15 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.88 -51.46 69.63 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.463 -0.495 . . . . 25.0 109.989 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -62.49 -40.52 96.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.778 0.658 . . . . 25.0 112.778 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -46.81 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.94 -0.475 . . . . 25.0 110.034 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.3 t -70.79 -33.17 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.5 tp -55.29 -43.73 75.07 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.057 -0.402 . . . . 25.0 110.199 177.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.1 t -68.76 -43.23 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 122.158 -0.338 . . . . 25.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 C--N 1.322 -0.618 0 CA-C-O 121.213 0.53 . . . . 25.0 110.598 179.432 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.695 ' HB3' HD22 ' A' ' 61' ' ' LEU . 37.2 Cg_endo . . . . . 0 C--O 1.215 -0.656 0 N-CA-C 112.77 0.258 . . . . 25.0 112.77 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.32 93.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 111.379 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.5 mt -76.88 -39.34 51.34 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 110.112 -0.329 . . . . 25.0 110.112 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.85 -39.85 87.72 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.672 -0.411 . . . . 25.0 110.518 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -56.79 -46.19 81.7 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 109.273 -0.64 . . . . 25.0 109.273 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.3 -46.78 82.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.47 -0.332 . . . . 25.0 111.821 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.79 -41.3 97.56 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.715 0.293 . . . . 25.0 111.612 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.62 -42.48 95.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.628 -0.26 . . . . 25.0 111.059 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -63.89 -36.64 84.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.126 0.488 . . . . 25.0 110.121 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.38 -11.95 59.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.772 -0.649 . . . . 25.0 112.63 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 34' ' ' GLU . 24.5 t-20 -116.4 101.86 53.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 112.724 0.638 . . . . 25.0 112.724 -174.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.9 -26.5 51.68 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 N-CA-C 115.669 1.373 . . . . 25.0 115.669 -176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -76.12 -42.03 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.712 0.768 . . . . 25.0 110.815 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 40.6 mm-40 -71.57 -37.35 71.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.383 -0.826 . . . . 25.0 109.358 -175.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -28.88 67.25 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.759 -0.588 . . . . 25.0 110.327 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -74.0 -44.34 54.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.207 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.42 -31.5 72.63 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 122.163 0.982 . . . . 25.0 109.102 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.7 tp -66.72 -45.99 76.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.13 -26.18 63.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 120.227 -0.589 . . . . 25.0 112.203 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -73.69 -51.85 15.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.205 0.526 . . . . 25.0 110.744 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -98.25 -24.12 15.38 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.711 1.745 . . . . 25.0 115.711 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -134.76 65.91 67.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -54.66 -34.5 83.81 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 N-CA-C 118.821 2.585 . . . . 25.0 118.821 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.77 -34.08 25.51 Favored 'Trans proline' 0 C--N 1.362 1.268 1 C-N-CA 112.794 -4.338 . . . . 25.0 115.332 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -75.46 -32.76 60.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -62.24 -50.12 72.99 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.34 -32.21 69.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.108 0.867 . . . . 25.0 110.686 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -62.76 -44.47 96.11 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.94 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.64 -42.77 81.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.652 -0.703 . . . . 25.0 110.782 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.0 mt -62.98 -30.49 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.315 0.579 . . . . 25.0 110.938 -173.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.95 -22.95 60.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.617 -0.719 . . . . 25.0 112.329 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.56 -22.06 18.81 Favored Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.509 -0.314 . . . . 25.0 112.702 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.46 117.25 5.03 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.927 0.491 . . . . 25.0 112.006 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.36 -37.99 84.08 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.405 -0.518 . . . . 25.0 109.921 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.72 -52.57 64.93 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.673 -0.411 . . . . 25.0 110.374 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.4 ptmt -64.95 -34.98 79.72 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 120.499 -0.48 . . . . 25.0 110.16 178.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.509 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 77.3 t80 -63.86 -51.43 64.65 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 118.258 0.481 . . . . 25.0 111.311 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -64.99 -38.55 91.34 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 122.688 0.395 . . . . 25.0 111.886 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -62.84 -46.38 88.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.887 0.375 . . . . 25.0 110.356 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.68 -34.31 51.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.4 tp -58.37 -45.09 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.034 -0.416 . . . . 25.0 111.235 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 p -72.17 -37.48 59.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.841 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 N--CA 1.471 0.616 0 O-C-N 121.5 -0.75 . . . . 25.0 111.015 176.718 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.605 ' HB3' HD22 ' A' ' 61' ' ' LEU . 32.7 Cg_endo . . . . . 0 C--O 1.218 -0.479 0 CA-C-O 120.805 0.252 . . . . 25.0 112.044 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.45 98.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.94 -40.22 40.25 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.234 0.334 . . . . 25.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.03 -42.52 94.26 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.925 -0.31 . . . . 25.0 111.095 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.01 -44.74 83.87 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.218 -0.447 . . . . 25.0 111.463 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.09 -41.13 97.88 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.697 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.99 -44.26 93.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.475 -0.329 . . . . 25.0 111.826 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.3 -34.81 78.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.106 0.479 . . . . 25.0 109.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.28 -12.18 59.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.608 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.32 99.64 52.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.36 0.504 . . . . 25.0 112.36 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.11 -25.61 58.29 Favored 'Trans proline' 0 C--N 1.345 0.374 0 N-CA-C 115.368 1.257 . . . . 25.0 115.368 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -75.98 -42.4 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.724 -0.61 . . . . 25.0 110.925 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.65 -38.0 65.12 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -30.28 71.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.932 -0.48 . . . . 25.0 110.735 177.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.8 -42.84 57.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 25.0 110.84 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -33.19 75.28 Favored 'General case' 0 CA--C 1.483 -1.612 0 CA-C-O 121.667 0.746 . . . . 25.0 109.026 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.75 -44.76 84.97 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.734 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -68.37 -28.8 67.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 119.647 -0.821 . . . . 25.0 111.78 175.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -74.22 -51.84 14.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.539 0.685 . . . . 25.0 111.397 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -86.84 -28.93 22.6 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.755 1.391 . . . . 25.0 114.755 -174.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -137.4 68.2 53.87 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.46 -36.42 88.0 Favored 'Trans proline' 0 CA--C 1.553 1.453 0 N-CA-C 118.153 2.328 . . . . 25.0 118.153 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.24 -28.98 27.1 Favored 'Trans proline' 0 C--N 1.361 1.194 1 C-N-CA 112.765 -4.357 . . . . 25.0 116.222 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -75.46 -33.96 60.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.564 -1.335 . . . . 25.0 108.206 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.18 76.39 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 113.102 0.778 . . . . 25.0 113.102 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.12 -31.59 69.07 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.962 0.801 . . . . 25.0 111.094 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.68 91.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.008 0.432 . . . . 25.0 110.965 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.54 -40.84 89.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 25.0 109.919 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.78 -31.43 72.66 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.228 0.537 . . . . 25.0 110.668 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -74.26 -21.94 59.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.594 -0.73 . . . . 25.0 111.832 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.37 4.74 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 121.664 -0.303 . . . . 25.0 113.259 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 108.39 0.47 Allowed 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.894 1.33 . . . . 25.0 112.65 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.41 -32.3 73.1 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 114.76 -1.109 . . . . 25.0 108.627 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.0 -47.36 77.91 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.358 -0.537 . . . . 25.0 112.13 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -74.44 -34.33 63.16 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -61.93 -51.47 68.01 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 120.873 -0.331 . . . . 25.0 110.75 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -62.0 -39.21 91.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.896 0.379 . . . . 25.0 111.976 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -66.48 -49.7 65.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 25.0 110.053 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -70.08 -30.25 43.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -58.25 -46.21 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.07 -0.394 . . . . 25.0 110.951 176.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.87 -36.23 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.289 -0.564 . . . . 25.0 111.246 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.471 0.581 0 O-C-N 121.596 -0.69 . . . . 25.0 110.233 176.768 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.9 Cg_endo . . . . . 0 C--O 1.215 -0.658 0 N-CA-C 113.064 0.371 . . . . 25.0 113.064 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.99 97.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.229 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.49 -40.38 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 25.0 110.492 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 61' ' ' LEU . 1.6 tp -64.53 -39.51 93.9 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.51 -0.476 . . . . 25.0 110.546 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -58.86 -43.94 90.92 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 176.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.87 -45.82 80.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.832 0.349 . . . . 25.0 111.367 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.6 ttp -59.77 -45.61 91.75 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.923 0.392 . . . . 25.0 110.866 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -62.61 -44.43 96.32 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.867 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -65.11 -33.87 77.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.923 0.392 . . . . 25.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.5 -12.11 59.88 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -114.86 99.94 52.76 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-O 120.868 0.366 . . . . 25.0 111.837 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.53 -25.67 55.07 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 115.414 1.275 . . . . 25.0 115.414 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -76.13 -43.15 44.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.386 0.613 . . . . 25.0 110.797 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.25 -38.27 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -30.27 70.46 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.955 -0.466 . . . . 25.0 110.66 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.65 -43.04 57.31 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.549 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.84 -31.58 72.29 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-O 121.868 0.842 . . . . 25.0 109.243 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.35 -46.44 76.76 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.918 -1.037 . . . . 25.0 111.775 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.56 -26.2 64.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 120.074 -0.651 . . . . 25.0 112.201 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.68 -51.88 17.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 25.0 110.69 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -101.65 -20.81 14.86 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 117.4 2.37 . . . . 25.0 117.4 -170.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -133.16 64.95 72.14 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -55.33 -33.53 85.54 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 N-CA-C 118.335 2.398 . . . . 25.0 118.335 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.85 -32.32 29.64 Favored 'Trans proline' 0 C--N 1.364 1.354 1 C-N-CA 112.344 -4.637 . . . . 25.0 115.236 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -75.52 -36.05 60.61 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 121.008 -1.057 . . . . 25.0 108.337 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -49.41 76.69 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.13 -31.47 70.09 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.889 0.768 . . . . 25.0 110.999 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.453 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -65.4 -38.39 89.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.805 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.0 -42.96 75.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.219 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.38 -31.18 72.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.255 0.55 . . . . 25.0 111.182 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -23.18 63.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.416 -0.811 . . . . 25.0 111.871 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.95 -28.14 4.66 Favored Glycine 0 N--CA 1.46 0.275 0 CA-C-O 121.405 0.447 . . . . 25.0 111.987 -177.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -57.67 101.79 0.08 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.776 1.23 . . . . 25.0 111.908 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.13 -35.41 80.18 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.492 -0.755 . . . . 25.0 110.602 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.02 70.16 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.43 -0.508 . . . . 25.0 111.15 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.4 ptmt -83.29 -36.69 24.29 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.73 -0.388 . . . . 25.0 110.189 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.439 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 86.8 t80 -58.3 -48.4 80.63 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.645 -0.422 . . . . 25.0 110.418 176.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.6 t -65.32 -40.65 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -60.49 -45.7 92.8 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.909 0.385 . . . . 25.0 110.448 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -73.91 -33.23 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.7 tp -57.12 -46.61 82.49 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.978 -0.451 . . . . 25.0 111.265 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.97 -36.19 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.905 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.553 0.692 . . . . 25.0 109.913 176.561 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.727 ' HB3' HD22 ' A' ' 61' ' ' LEU . 24.7 Cg_endo . . . . . 0 C--O 1.216 -0.618 0 N-CA-C 112.555 0.175 . . . . 25.0 112.555 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.23 91.24 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.379 -0.201 . . . . 25.0 111.231 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.99 -39.23 43.0 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 123.619 0.574 . . . . 25.0 110.725 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.15 -40.06 90.29 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.573 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -43.64 84.29 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 176.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.49 -46.99 77.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.826 -0.624 . . . . 25.0 111.445 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.26 -44.73 95.04 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 121.002 0.429 . . . . 25.0 111.019 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.3 -43.04 99.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.989 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -65.01 -35.14 80.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.729 -0.389 . . . . 25.0 110.432 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 -9.4 59.84 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.459 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -116.93 100.39 53.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.74 -0.6 . . . . 25.0 111.7 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.95 -25.27 59.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 N-CA-C 114.986 1.11 . . . . 25.0 114.986 -176.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -76.01 -45.62 33.61 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.877 -0.514 . . . . 25.0 109.742 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -38.64 81.06 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -30.46 70.33 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 121.517 -0.739 . . . . 25.0 111.643 178.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -35.08 56.8 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.671 0.389 . . . . 25.0 111.561 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -73.63 -33.8 64.7 Favored 'General case' 0 CA--C 1.48 -1.716 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -63.53 -42.73 98.4 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.752 -0.658 . . . . 25.0 112.75 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -66.33 -25.99 67.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 119.915 -0.714 . . . . 25.0 112.312 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -80.74 -51.86 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.018 0.437 . . . . 25.0 111.084 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -76.29 -35.46 58.85 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 -177.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -140.18 70.67 34.21 Favored Pre-proline 0 C--O 1.242 0.703 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.3 -37.69 88.52 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 117.992 2.266 . . . . 25.0 117.992 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.2 -28.92 27.38 Favored 'Trans proline' 0 C--N 1.36 1.158 1 C-N-CA 112.536 -4.509 . . . . 25.0 116.286 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -71.55 -36.98 71.15 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.465 -1.397 . . . . 25.0 107.853 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.11 78.42 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 115.258 -0.883 . . . . 25.0 112.702 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.32 -31.45 71.3 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.344 0.974 . . . . 25.0 111.092 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.95 -39.67 93.85 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.402 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.84 -42.57 85.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.546 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.08 -27.31 69.31 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.122 0.487 . . . . 25.0 111.138 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 m -74.85 -21.79 59.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.263 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.51 -27.48 6.35 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.554 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -58.42 102.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.372 1.069 . . . . 25.0 111.808 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.97 -35.19 77.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.911 -0.716 . . . . 25.0 112.132 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.32 -33.91 65.4 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.729 0.695 . . . . 25.0 110.477 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.73 -51.01 71.6 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.527 -0.469 . . . . 25.0 109.918 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -63.91 -39.91 95.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -61.27 -43.95 98.03 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 121.323 0.582 . . . . 25.0 110.408 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.03 -35.85 42.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.5 tp -59.85 -45.31 92.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.724 -0.216 . . . . 25.0 110.733 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.9 -34.52 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 121.954 -0.466 . . . . 25.0 110.838 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 . . . . . 0 C--N 1.322 -0.598 0 O-C-N 121.829 -0.544 . . . . 25.0 110.162 175.153 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HB3' HD22 ' A' ' 61' ' ' LEU . 31.4 Cg_endo . . . . . 0 C--O 1.218 -0.524 0 N-CA-C 113.474 0.528 . . . . 25.0 113.474 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.3 93.09 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.876 -0.329 . . . . 25.0 110.364 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.91 -37.07 56.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 25.0 110.788 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.48 -41.36 93.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.203 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -57.53 -45.07 85.47 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -43.24 88.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.94 0.4 . . . . 25.0 111.483 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -59.95 -49.29 78.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.259 0.552 . . . . 25.0 109.731 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.9 -44.01 94.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.992 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.66 -36.19 83.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 25.0 110.589 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.39 58.94 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.26 98.48 39.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.402 . . . . 25.0 111.864 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.5 -25.2 63.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 114.992 1.112 . . . . 25.0 114.992 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.07 -44.11 40.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.853 -0.529 . . . . 25.0 111.133 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.56 -39.71 70.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.52 71.64 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.747 -0.595 . . . . 25.0 111.111 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.4 p -76.46 -35.98 58.14 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.722 0.296 . . . . 25.0 111.576 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.56 -33.19 66.62 Favored 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.06 -44.5 95.64 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.978 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -69.51 -26.05 64.34 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 119.742 -0.783 . . . . 25.0 112.652 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -76.16 -50.79 13.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.403 0.621 . . . . 25.0 110.784 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -82.61 -36.12 26.41 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.925 1.454 . . . . 25.0 114.925 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -135.1 69.1 70.23 Favored Pre-proline 0 N--CA 1.472 0.656 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.05 -35.9 91.43 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.402 2.424 . . . . 25.0 118.402 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -69.69 -29.77 23.69 Favored 'Trans proline' 0 C--N 1.362 1.27 1 C-N-CA 112.336 -4.643 . . . . 25.0 115.941 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.5 tp -75.37 -33.54 61.06 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.842 -1.162 . . . . 25.0 108.046 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.13 77.42 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.857 -0.61 . . . . 25.0 112.457 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.89 -31.48 69.84 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.292 0.951 . . . . 25.0 110.999 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -60.79 -43.08 98.56 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.967 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.22 -43.99 76.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.08 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.14 -28.89 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.592 0.711 . . . . 25.0 110.524 -174.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.429 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . 7.9 t -74.03 -23.31 59.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.031 -0.986 . . . . 25.0 112.359 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.83 -18.37 39.85 Favored Glycine 0 CA--C 1.517 0.204 0 CA-C-O 121.258 0.365 . . . . 25.0 112.983 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -68.13 113.28 5.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 25.0 111.741 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.22 -36.23 83.5 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 109.273 -0.639 . . . . 25.0 109.273 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.79 -48.49 81.55 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.955 -0.465 . . . . 25.0 110.696 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 ptmt -67.63 -36.23 80.41 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.07 -0.652 . . . . 25.0 109.84 177.099 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.499 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 81.6 t80 -62.12 -50.31 72.41 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 118.304 0.502 . . . . 25.0 111.332 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -64.36 -40.76 96.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -63.84 -45.89 87.48 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.089 -0.382 . . . . 25.0 110.182 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.78 -32.78 56.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 21' ' ' PRO . 4.0 tp -56.23 -42.87 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.033 -0.417 . . . . 25.0 111.054 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.93 -44.71 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 122.176 -0.327 . . . . 25.0 110.4 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 121.693 0.759 . . . . 25.0 110.354 179.175 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.5 Cg_endo . . . . . 0 C--O 1.214 -0.714 0 N-CA-C 112.917 0.314 . . . . 25.0 112.917 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.1 85.57 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 25.0 110.733 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.27 -38.22 71.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.3 tp -67.08 -39.69 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.541 -0.299 . . . . 25.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -59.85 -45.55 92.07 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -44.31 91.98 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.231 -0.895 . . . . 25.0 112.08 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.8 -44.96 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.858 0.361 . . . . 25.0 110.626 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.413 -0.358 . . . . 25.0 111.733 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.06 -36.97 83.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 25.0 110.119 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.22 -16.18 56.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.707 -0.678 . . . . 25.0 112.519 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -106.14 102.54 40.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -174.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.24 -27.44 48.43 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 N-CA-C 115.621 1.354 . . . . 25.0 115.621 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -75.93 -42.88 47.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.818 0.818 . . . . 25.0 111.014 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.59 -37.45 68.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.376 -0.829 . . . . 25.0 109.3 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.649 -0.657 . . . . 25.0 110.809 176.397 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.75 -40.11 61.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 25.0 111.63 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.15 -33.81 76.22 Favored 'General case' 0 CA--C 1.479 -1.765 0 CA-C-O 122.01 0.909 . . . . 25.0 108.845 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.87 -47.4 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.828 -1.078 . . . . 25.0 111.495 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.85 -26.19 64.09 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.843 0.682 . . . . 25.0 112.843 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -71.14 -51.69 23.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 25.0 110.277 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -101.01 -24.07 14.39 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 117.097 2.258 . . . . 25.0 117.097 -169.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -132.55 68.72 79.59 Favored Pre-proline 0 N--CA 1.477 0.884 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.54 -36.89 90.07 Favored 'Trans proline' 0 CA--C 1.551 1.331 0 N-CA-C 118.361 2.408 . . . . 25.0 118.361 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -69.56 -30.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 112.407 -4.595 . . . . 25.0 115.733 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -75.41 -31.21 60.33 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.801 -1.187 . . . . 25.0 108.354 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.42 69.61 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.614 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.39 69.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.678 0.672 . . . . 25.0 110.854 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -60.05 -46.37 89.77 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 115.816 -0.629 . . . . 25.0 112.636 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -65.94 -40.03 91.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.063 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.93 -33.68 76.25 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.268 0.556 . . . . 25.0 110.383 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -24.92 61.28 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.51 -0.768 . . . . 25.0 111.266 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.18 -15.1 46.46 Favored Glycine 0 C--O 1.235 0.187 0 CA-C-N 116.331 -0.395 . . . . 25.0 112.135 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 50.1 t0 -65.22 114.03 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 25.0 110.827 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.73 -36.56 83.93 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -59.66 -52.06 67.11 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.908 -0.495 . . . . 25.0 110.808 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.8 -39.7 94.01 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 117.791 -1.1 . . . . 25.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.4 -50.67 73.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 119.124 0.874 . . . . 25.0 112.719 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.1 t -64.61 -38.42 90.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 118.624 0.647 . . . . 25.0 112.165 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -67.43 -45.09 77.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.57 -0.529 . . . . 25.0 109.57 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.51 -34.16 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.331 -0.989 . . . . 25.0 108.331 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.674 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.2 tp -56.87 -46.86 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.899 -0.5 . . . . 25.0 111.223 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.64 -35.06 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.972 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 121.323 0.582 . . . . 25.0 109.779 174.516 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.687 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.1 Cg_endo . . . . . 0 C--O 1.22 -0.411 0 N-CA-C 112.801 0.269 . . . . 25.0 112.801 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.7 97.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.302 -0.249 . . . . 25.0 111.575 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.93 -36.8 48.95 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.24 0.338 . . . . 25.0 110.456 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.06 -41.43 90.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.571 -0.451 . . . . 25.0 110.07 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -56.53 -43.42 79.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.24 -44.26 84.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.975 0.417 . . . . 25.0 111.597 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.32 -48.71 80.58 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.305 0.574 . . . . 25.0 110.618 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.565 -0.743 . . . . 25.0 112.471 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.69 -35.75 81.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.058 0.456 . . . . 25.0 110.267 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.56 -11.39 59.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.67 0.618 . . . . 25.0 112.67 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -115.92 100.33 53.43 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.79 -25.62 53.22 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 N-CA-C 115.471 1.296 . . . . 25.0 115.471 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -76.19 -44.49 37.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.953 0.882 . . . . 25.0 110.685 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -35.19 69.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.318 -0.856 . . . . 25.0 110.258 -174.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -28.68 67.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.012 0.434 . . . . 25.0 110.11 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.9 t -74.7 -42.11 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 25.0 111.275 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.17 -31.17 71.4 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-O 121.942 0.877 . . . . 25.0 109.128 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.0 tp -66.39 -43.71 85.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 115.192 -0.913 . . . . 25.0 111.928 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -69.63 -26.24 64.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 119.961 -0.696 . . . . 25.0 111.999 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.16 -54.12 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.5 0.667 . . . . 25.0 110.878 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -89.56 -26.37 20.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.88 1.437 . . . . 25.0 114.88 -168.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.08 68.08 48.59 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -55.19 -35.92 92.07 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 N-CA-C 117.982 2.262 . . . . 25.0 117.982 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.83 -29.11 29.11 Favored 'Trans proline' 0 C--N 1.363 1.309 1 C-N-CA 112.507 -4.529 . . . . 25.0 115.866 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 tp -75.34 -33.39 61.1 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.729 -1.232 . . . . 25.0 108.582 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.54 75.41 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.818 -0.628 . . . . 25.0 112.473 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.18 -31.51 69.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.728 0.695 . . . . 25.0 111.206 -177.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.16 -43.45 98.8 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-O 120.958 0.409 . . . . 25.0 111.837 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.9 -40.44 91.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.741 -0.663 . . . . 25.0 109.812 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.19 -30.83 71.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.154 0.502 . . . . 25.0 110.929 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -74.15 -24.74 59.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.559 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.35 -13.64 57.13 Favored Glycine 0 C--O 1.235 0.167 0 CA-C-N 116.504 -0.316 . . . . 25.0 112.499 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.6 t0 -70.72 111.54 6.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.917 0.389 . . . . 25.0 110.984 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.01 -36.63 84.2 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.96 -51.6 68.99 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.855 -0.528 . . . . 25.0 110.791 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.4 ptmt -65.04 -35.98 82.89 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.245 -0.582 . . . . 25.0 109.605 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.3 -51.35 68.04 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 118.429 0.559 . . . . 25.0 112.334 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -63.11 -39.98 96.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.39 0.614 . . . . 25.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -66.05 -51.56 57.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.244 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.26 -29.54 46.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.076 -1.083 . . . . 25.0 108.076 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.5 tp -61.16 -47.59 85.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.301 -0.249 . . . . 25.0 111.023 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.7 -33.94 45.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.163 -0.615 . . . . 25.0 110.766 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.16 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.6 Cg_endo . . . . . 0 C--O 1.215 -0.642 0 N-CA-C 113.035 0.36 . . . . 25.0 113.035 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.9 99.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.189 -0.319 . . . . 25.0 111.569 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -76.46 -39.13 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.229 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.53 -40.02 88.92 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.616 -0.434 . . . . 25.0 110.602 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -56.81 -45.36 82.32 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.28 -44.33 83.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.894 0.378 . . . . 25.0 111.68 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -60.1 -49.85 76.03 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.43 0.633 . . . . 25.0 110.05 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.248 -0.887 . . . . 25.0 112.319 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.99 -35.75 81.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.99 0.424 . . . . 25.0 110.617 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.82 -13.04 60.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.795 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -110.56 98.26 36.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.51 -28.36 53.65 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 N-CA-C 115.59 1.342 . . . . 25.0 115.59 -175.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -76.11 -42.39 47.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.553 -0.717 . . . . 25.0 110.946 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.04 -37.26 69.74 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 -175.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -30.33 70.86 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.614 -0.679 . . . . 25.0 110.603 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -76.84 -41.52 43.8 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.6 -31.01 70.76 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 122.439 1.114 . . . . 25.0 108.888 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.241 -0.891 . . . . 25.0 112.981 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.22 -29.79 68.7 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 120.086 -0.646 . . . . 25.0 111.739 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -53.36 12.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.578 0.704 . . . . 25.0 110.889 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -81.85 -36.01 28.72 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -134.88 68.78 71.31 Favored Pre-proline 0 C--O 1.242 0.671 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -53.87 -35.64 80.4 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.757 2.56 . . . . 25.0 118.757 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.83 -31.53 24.86 Favored 'Trans proline' 0 C--N 1.36 1.178 1 C-N-CA 112.785 -4.343 . . . . 25.0 115.663 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -75.57 -33.62 60.63 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.937 -1.102 . . . . 25.0 108.381 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -48.03 75.08 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.6 -31.42 69.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.038 0.835 . . . . 25.0 110.463 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.9 -44.71 96.24 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.525 175.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.07 -41.43 90.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.492 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.27 -29.29 70.65 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.272 0.558 . . . . 25.0 110.786 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -76.49 -23.2 53.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.16 -21.3 21.28 Favored Glycine 0 C--O 1.236 0.245 0 CA-C-N 116.597 -0.274 . . . . 25.0 112.781 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.19 117.62 5.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.183 0.516 . . . . 25.0 111.857 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.43 -37.63 83.31 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.39 -51.1 70.92 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.498 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.7 ptmt -65.17 -37.66 88.07 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.456 -0.783 . . . . 25.0 109.708 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -62.13 -51.27 68.55 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 118.731 0.696 . . . . 25.0 112.301 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 t -60.73 -39.53 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 25.0 111.531 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -49.77 69.21 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.93 -29.53 37.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.0 tp -59.65 -45.5 91.82 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.85 -0.531 . . . . 25.0 110.903 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -76.05 -34.5 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.56 -0.456 . . . . 25.0 110.543 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.471 0.618 0 O-C-N 121.673 -0.642 . . . . 25.0 110.475 176.687 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB3' HD22 ' A' ' 61' ' ' LEU . 34.0 Cg_endo . . . . . 0 C--O 1.214 -0.716 0 N-CA-C 111.505 -0.229 . . . . 25.0 111.505 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.0 99.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.0 -34.44 50.78 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.059 -0.349 . . . . 25.0 110.059 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.5 tp -68.53 -41.72 79.5 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.563 -0.455 . . . . 25.0 110.335 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -44.46 79.65 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.63 -45.91 88.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.962 0.41 . . . . 25.0 111.772 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -60.44 -49.57 77.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.267 0.556 . . . . 25.0 110.682 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.78 -43.32 98.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.511 -0.768 . . . . 25.0 111.985 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.9 -35.62 81.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.954 0.406 . . . . 25.0 110.693 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.81 59.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 25.0 112.31 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.93 100.16 53.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.18 -25.59 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.44 1.285 . . . . 25.0 115.44 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.56 -42.2 43.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.441 0.639 . . . . 25.0 110.97 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.26 -38.31 66.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.453 0.644 . . . . 25.0 109.424 -175.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -29.42 70.37 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.762 -0.586 . . . . 25.0 110.097 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 t -74.68 -41.43 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.822 0.449 . . . . 25.0 111.623 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.94 -31.17 70.73 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-O 122.016 0.912 . . . . 25.0 108.936 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.33 -44.52 83.12 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 115.063 -0.971 . . . . 25.0 111.936 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -70.45 -26.17 63.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 120.133 -0.627 . . . . 25.0 112.35 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.31 -51.98 26.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.167 0.508 . . . . 25.0 110.409 175.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -93.75 -29.66 15.27 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.269 1.951 . . . . 25.0 116.269 -171.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -135.45 69.79 67.55 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 113.674 0.99 . . . . 25.0 113.674 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.27 -37.1 88.25 Favored 'Trans proline' 0 CA--C 1.55 1.319 0 N-CA-C 118.576 2.491 . . . . 25.0 118.576 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.65 -30.34 28.28 Favored 'Trans proline' 0 C--N 1.361 1.233 1 C-N-CA 112.855 -4.297 . . . . 25.0 115.857 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.61 -33.42 60.53 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.862 -1.149 . . . . 25.0 108.495 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -49.33 71.34 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.64 -0.709 . . . . 25.0 112.172 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.4 -31.44 70.38 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.587 0.631 . . . . 25.0 111.266 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.25 -44.21 97.62 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-O 120.821 0.343 . . . . 25.0 111.229 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 tp -66.21 -40.78 90.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.059 -0.518 . . . . 25.0 110.647 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.54 -30.48 71.5 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.166 0.508 . . . . 25.0 110.785 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 49.7 m -74.76 -26.46 59.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.672 -0.694 . . . . 25.0 111.375 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.2 -21.89 39.76 Favored Glycine 0 C--O 1.229 -0.164 0 N-CA-C 113.891 0.316 . . . . 25.0 113.891 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -66.1 121.29 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.345 0.593 . . . . 25.0 111.02 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -66.08 -40.22 90.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.448 -0.501 . . . . 25.0 110.225 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.96 -30.23 70.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.321 0.581 . . . . 25.0 110.282 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' A' ' 51' ' ' SER . 16.7 ptmt -78.48 -35.78 46.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.817 -0.753 . . . . 25.0 109.018 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.95 -46.66 83.7 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 123.094 0.246 . . . . 25.0 110.473 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -65.18 -37.87 88.73 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 122.886 0.474 . . . . 25.0 111.64 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.6 -50.44 67.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.727 -0.472 . . . . 25.0 109.727 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.87 -29.7 41.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.7 tp -61.18 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.856 -0.528 . . . . 25.0 111.16 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.01 -34.8 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.297 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 . . . . . 0 C--N 1.323 -0.575 0 O-C-N 121.785 -0.572 . . . . 25.0 110.884 176.584 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.731 ' HB3' HD22 ' A' ' 61' ' ' LEU . 30.4 Cg_endo . . . . . 0 C--O 1.212 -0.811 0 N-CA-C 112.232 0.051 . . . . 25.0 112.232 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.7 93.02 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.297 -0.252 . . . . 25.0 110.654 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.9 mt -73.19 -38.42 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 25.0 110.293 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.32 -39.9 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.974 -0.291 . . . . 25.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -59.18 -44.69 92.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.159 -1.052 . . . . 25.0 108.159 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -44.82 91.38 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.751 -0.659 . . . . 25.0 112.067 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.9 ttp -61.93 -44.23 97.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.845 0.355 . . . . 25.0 110.796 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.0 -42.22 94.69 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.587 -0.279 . . . . 25.0 111.712 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.2 -37.56 85.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.28 0.562 . . . . 25.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.56 -16.0 57.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.554 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -110.12 103.6 54.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -173.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.46 -26.71 47.3 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.684 1.379 . . . . 25.0 115.684 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -76.01 -42.46 47.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.961 0.886 . . . . 25.0 110.438 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -36.07 65.32 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.276 -0.875 . . . . 25.0 110.004 -174.017 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -30.3 70.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.132 0.492 . . . . 25.0 109.778 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -74.51 -41.79 60.04 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 116.13 -0.486 . . . . 25.0 110.444 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.91 -33.73 76.71 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 121.369 -0.832 . . . . 25.0 108.915 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.28 -44.02 89.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.211 -0.904 . . . . 25.0 112.427 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -68.77 -29.19 67.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 120.3 -0.56 . . . . 25.0 111.93 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -74.79 -49.54 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.186 0.517 . . . . 25.0 111.278 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -89.98 -27.98 19.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.06 70.29 48.99 Favored Pre-proline 0 N--CA 1.477 0.914 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.59 -37.8 83.47 Favored 'Trans proline' 0 CA--C 1.553 1.458 0 N-CA-C 119.079 2.684 . . . . 25.0 119.079 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.19 -32.71 20.36 Favored 'Trans proline' 0 C--N 1.359 1.122 1 C-N-CA 112.728 -4.381 . . . . 25.0 115.454 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.1 tp -75.29 -30.31 60.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.981 -1.118 . . . . 25.0 107.981 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.74 -49.48 70.65 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 118.601 -0.714 . . . . 25.0 112.645 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -31.74 72.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.201 0.909 . . . . 25.0 110.601 -175.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.542 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.38 -45.65 87.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.109 -0.951 . . . . 25.0 111.603 172.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.504 -0.771 . . . . 25.0 110.658 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 16.9 mt -63.22 -32.36 73.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.236 0.541 . . . . 25.0 110.708 -173.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -70.18 -24.58 63.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.473 -0.785 . . . . 25.0 112.193 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.61 -15.48 46.32 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.397 -0.365 . . . . 25.0 112.695 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.442 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 44.7 t0 -65.62 116.09 6.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 25.0 110.558 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.4 -36.54 81.49 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.36 -53.08 62.27 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.964 -0.46 . . . . 25.0 110.83 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.8 ptmt -64.47 -36.99 85.99 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 177.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.534 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 73.2 t80 -61.35 -51.8 67.29 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.714 -0.616 . . . . 25.0 111.224 178.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -65.08 -38.51 90.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -46.69 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.77 -34.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.121 -0.631 . . . . 25.0 109.38 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -57.79 -44.8 86.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.854 -0.529 . . . . 25.0 111.045 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 p -74.73 -36.42 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.482 -0.487 . . . . 25.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 . . . . . 0 N--CA 1.472 0.648 0 O-C-N 121.517 -0.739 . . . . 25.0 111.251 176.913 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.509 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.9 Cg_endo . . . . . 0 C--O 1.217 -0.557 0 N-CA-C 113.114 0.39 . . . . 25.0 113.114 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.87 91.68 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.151 -0.343 . . . . 25.0 110.832 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.8 -37.66 64.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.094 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.72 -41.33 88.09 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.83 -0.348 . . . . 25.0 110.435 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.57 -46.22 87.38 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -44.34 93.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.94 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.2 ttp -62.98 -43.72 98.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 120.69 0.281 . . . . 25.0 110.832 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.96 -40.25 96.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.29 -35.62 79.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.18 0.514 . . . . 25.0 109.868 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.03 -9.85 58.32 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -113.43 101.73 53.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.44 -24.94 48.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 N-CA-C 115.412 1.274 . . . . 25.0 115.412 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -76.11 -42.41 47.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.925 0.869 . . . . 25.0 110.97 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.05 -37.35 61.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.205 -0.907 . . . . 25.0 108.927 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -30.37 70.16 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.755 -0.591 . . . . 25.0 110.171 177.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -70.67 -45.53 64.91 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.251 0.62 . . . . 25.0 110.711 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.15 -33.77 76.53 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 121.518 -0.739 . . . . 25.0 109.515 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -65.16 -43.89 90.3 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.366 -0.834 . . . . 25.0 113.05 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.35 -26.22 64.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 120.154 -0.618 . . . . 25.0 111.885 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.19 -51.81 9.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.177 0.513 . . . . 25.0 112.296 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -84.46 -31.02 24.79 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -136.1 68.99 63.62 Favored Pre-proline 0 C--O 1.242 0.682 0 N-CA-C 114.473 1.286 . . . . 25.0 114.473 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.68 -36.14 89.1 Favored 'Trans proline' 0 CA--C 1.553 1.448 0 N-CA-C 118.208 2.349 . . . . 25.0 118.208 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.53 -30.15 23.82 Favored 'Trans proline' 0 C--N 1.362 1.287 1 C-N-CA 112.277 -4.682 . . . . 25.0 115.784 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -75.43 -30.93 60.19 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.795 -1.191 . . . . 25.0 108.45 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.36 71.52 Favored 'General case' 0 C--O 1.21 -0.997 0 C-N-CA 119.977 -0.689 . . . . 25.0 112.169 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -31.95 70.71 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.981 0.81 . . . . 25.0 111.843 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.97 -44.2 91.48 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 123.491 0.716 . . . . 25.0 111.777 173.044 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.16 -43.78 85.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.938 -0.573 . . . . 25.0 110.366 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 25.0 111.223 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -72.15 -23.8 61.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.767 -0.651 . . . . 25.0 112.113 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.7 -19.8 22.68 Favored Glycine 0 C--O 1.238 0.395 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.344 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 45.0 t0 -63.24 114.58 3.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.428 . . . . 25.0 111.357 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.98 -36.24 81.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.47 -52.12 66.96 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.668 -0.413 . . . . 25.0 110.287 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.2 ptmt -65.44 -38.35 89.61 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.079 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.511 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 68.4 t80 -59.22 -51.97 67.68 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 118.845 0.748 . . . . 25.0 111.784 177.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.9 t -64.01 -40.14 95.67 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -44.82 96.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.94 -34.3 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.9 tp -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.834 -0.541 . . . . 25.0 110.987 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.34 -35.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.363 -0.535 . . . . 25.0 111.172 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 . . . . . 0 N--CA 1.471 0.61 0 O-C-N 121.648 -0.657 . . . . 25.0 110.741 176.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.465 ' HB3' HD22 ' A' ' 61' ' ' LEU . 56.8 Cg_endo . . . . . 0 C--O 1.21 -0.922 0 N-CA-C 111.698 -0.155 . . . . 25.0 111.698 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.39 90.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.501 0.667 . . . . 25.0 110.717 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.65 -42.29 61.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.895 -1.048 . . . . 25.0 110.349 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.05 -38.66 86.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.253 -0.43 . . . . 25.0 110.643 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -58.13 -44.8 87.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.327 -0.62 . . . . 25.0 109.327 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.0 -46.83 76.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.795 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.6 ttp -60.58 -42.54 96.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.125 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -65.45 -43.75 89.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.5 -36.08 82.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.746 0.308 . . . . 25.0 110.378 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.57 -15.94 59.73 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.633 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -109.36 102.56 49.88 Favored Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -174.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.39 -25.14 49.15 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 N-CA-C 115.988 1.495 . . . . 25.0 115.988 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -78.0 -41.95 34.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.864 0.84 . . . . 25.0 110.908 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -71.13 -37.01 72.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.034 -0.985 . . . . 25.0 109.648 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.98 67.43 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.008 -0.433 . . . . 25.0 110.154 177.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.8 m -74.41 -42.43 59.22 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.489 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.97 -30.37 70.48 Favored 'General case' 0 CA--C 1.484 -1.56 0 C-N-CA 119.319 -0.953 . . . . 25.0 108.733 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -68.96 -43.26 75.36 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.577 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.73 -28.55 66.92 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 119.804 -0.759 . . . . 25.0 111.607 175.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.64 -52.1 14.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.315 0.579 . . . . 25.0 111.961 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -85.96 -28.49 24.22 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.35 1.241 . . . . 25.0 114.35 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -138.36 70.1 46.89 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.43 -37.27 89.48 Favored 'Trans proline' 0 CA--C 1.551 1.35 0 N-CA-C 117.801 2.193 . . . . 25.0 117.801 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.7 -29.25 29.73 Favored 'Trans proline' 0 C--N 1.36 1.159 1 C-N-CA 112.261 -4.693 . . . . 25.0 116.252 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.9 tp -75.3 -35.56 61.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.796 -1.19 . . . . 25.0 108.503 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.61 80.0 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.53 -30.84 70.01 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.026 0.83 . . . . 25.0 110.362 -176.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -66.41 -38.77 88.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.459 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -66.84 -44.97 79.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.393 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.24 -28.62 69.86 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.185 0.517 . . . . 25.0 112.273 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -74.12 -17.81 60.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.525 -0.761 . . . . 25.0 112.163 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.54 -30.27 4.19 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.356 -0.449 . . . . 25.0 113.713 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.23 110.35 0.93 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.51 0.672 . . . . 25.0 112.53 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.04 -33.9 76.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -51.14 -56.29 13.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 25.0 110.867 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.4 ptmt -73.36 -33.77 65.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.407 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.11 -50.9 71.88 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.471 -0.492 . . . . 25.0 110.375 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 t -61.36 -40.49 94.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.171 0.51 . . . . 25.0 112.251 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -63.08 -44.86 94.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.072 -0.392 . . . . 25.0 110.197 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.52 -32.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 119.537 -0.865 . . . . 25.0 109.185 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -57.68 -45.14 86.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.225 -0.297 . . . . 25.0 110.815 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.5 p -73.55 -35.6 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.261 -0.576 . . . . 25.0 111.07 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 . . . . . 0 N--CA 1.473 0.678 0 CA-C-N 118.586 0.63 . . . . 25.0 110.972 177.318 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.6 Cg_endo . . . . . 0 C--O 1.223 -0.266 0 N-CA-C 113.127 0.395 . . . . 25.0 113.127 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.74 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.323 -0.235 . . . . 25.0 111.587 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -77.95 -40.72 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.024 0.44 . . . . 25.0 110.408 -178.527 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.41 -40.71 93.74 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.67 -0.412 . . . . 25.0 111.248 -178.028 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -56.59 -45.06 81.57 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 176.373 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.47 -43.61 98.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.129 0.49 . . . . 25.0 111.631 -177.03 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -63.65 -49.54 72.84 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.088 178.395 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.819 -0.628 . . . . 25.0 112.305 -177.427 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.5 mt -63.32 -33.35 75.34 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.26 0.552 . . . . 25.0 109.782 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.02 -4.0 59.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 25.0 112.46 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -122.84 99.76 41.21 Favored Pre-proline 0 CA--C 1.534 0.343 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 -175.82 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -66.62 -24.52 48.16 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 N-CA-C 115.693 1.382 . . . . 25.0 115.693 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.29 -39.52 54.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.825 0.821 . . . . 25.0 110.796 178.607 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -75.47 -33.46 60.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.141 -0.936 . . . . 25.0 108.684 -174.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.59 -29.14 64.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 175.293 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -71.63 -43.33 66.35 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.157 -0.34 . . . . 25.0 111.223 -178.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.58 -29.38 69.42 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.997 0.903 . . . . 25.0 109.897 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -70.17 -45.68 66.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.094 -0.957 . . . . 25.0 112.148 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -66.71 -26.05 66.83 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 122.011 -0.431 . . . . 25.0 111.063 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.54 -54.52 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.196 0.522 . . . . 25.0 111.594 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -93.51 -23.89 18.18 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 116.394 1.998 . . . . 25.0 116.394 -169.245 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -135.7 71.94 63.74 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 179.158 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.86 -39.56 89.49 Favored 'Trans proline' 0 CA--C 1.552 1.415 0 N-CA-C 117.845 2.209 . . . . 25.0 117.845 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.22 -32.26 27.32 Favored 'Trans proline' 0 C--N 1.361 1.226 1 C-N-CA 112.687 -4.408 . . . . 25.0 115.642 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -73.81 -32.45 63.73 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.897 -1.127 . . . . 25.0 108.995 177.085 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.25 68.42 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.924 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.1 -31.58 70.17 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.366 0.53 . . . . 25.0 111.866 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -59.43 -40.75 87.75 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 122.978 0.511 . . . . 25.0 111.28 174.892 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.8 -42.6 66.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.705 -0.68 . . . . 25.0 110.725 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.86 -33.38 75.15 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.768 0.794 . . . . 25.0 109.8 -176.429 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 t -71.55 -22.96 61.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.848 -1.069 . . . . 25.0 111.964 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.65 -17.44 35.24 Favored Glycine 0 N--CA 1.457 0.078 0 N-CA-C 114.199 0.44 . . . . 25.0 114.199 178.111 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 44.1 t0 -70.36 113.47 7.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.942 0.401 . . . . 25.0 111.502 -177.494 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.65 -33.45 75.93 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.653 -0.499 . . . . 25.0 109.653 177.7 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.23 -53.3 59.64 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.3 ptmt -67.94 -35.71 78.88 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.913 -0.715 . . . . 25.0 111.119 178.553 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.495 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 76.9 t80 -60.85 -51.12 70.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.677 0.671 . . . . 25.0 111.198 177.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -63.15 -38.23 90.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.57 79.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.089 -0.337 . . . . 25.0 110.089 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.15 -34.31 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.454 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.4 tp -57.8 -44.97 86.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.892 -0.505 . . . . 25.0 111.812 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.1 p -76.62 -33.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.496 -0.482 . . . . 25.0 110.718 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 . . . . . 0 C--N 1.322 -0.602 0 O-C-N 121.757 -0.589 . . . . 25.0 110.909 177.214 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.736 ' HB3' HD22 ' A' ' 61' ' ' LEU . 38.1 Cg_endo . . . . . 0 C--O 1.213 -0.771 0 CA-C-O 120.277 0.032 . . . . 25.0 112.064 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.04 96.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.335 -0.228 . . . . 25.0 110.691 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.93 -41.39 64.59 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.358 -0.383 . . . . 25.0 110.145 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.01 -42.4 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.953 -0.388 . . . . 25.0 109.953 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -44.42 91.55 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 176.078 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.97 -43.98 90.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.878 0.37 . . . . 25.0 111.378 -177.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.12 -43.87 97.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.058 0.456 . . . . 25.0 110.458 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.36 -40.65 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.607 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.94 -37.75 85.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.208 0.528 . . . . 25.0 109.704 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.47 -13.56 59.01 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.978 0.733 . . . . 25.0 112.978 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -111.6 100.61 48.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -173.719 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.25 -25.61 57.21 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 N-CA-C 115.279 1.223 . . . . 25.0 115.279 -177.202 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -76.14 -43.36 43.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 25.0 111.161 178.574 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.98 -38.44 64.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -174.546 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -30.11 71.29 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.595 -0.691 . . . . 25.0 110.826 176.137 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -74.82 -39.61 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.186 0.594 . . . . 25.0 111.216 -179.406 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.04 -33.77 74.12 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 176.42 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.83 -43.06 97.34 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.252 -0.886 . . . . 25.0 112.595 -178.644 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -68.54 -26.14 65.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.083 -0.647 . . . . 25.0 112.495 175.367 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -78.68 -51.89 9.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 25.0 110.656 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.14 -34.1 32.72 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.586 1.699 . . . . 25.0 115.586 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -137.35 66.77 52.61 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -176.351 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.31 -34.81 72.03 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 N-CA-C 118.071 2.297 . . . . 25.0 118.071 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.87 -29.14 28.83 Favored 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 112.403 -4.598 . . . . 25.0 116.014 177.054 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.47 -33.59 60.83 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.681 -1.262 . . . . 25.0 107.747 175.326 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.32 76.9 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.482 -0.781 . . . . 25.0 112.276 178.552 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.76 -32.57 72.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.07 0.85 . . . . 25.0 110.674 -177.648 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.468 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -59.78 -43.99 94.13 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 115.869 -0.605 . . . . 25.0 111.57 174.333 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.25 -41.13 90.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.693 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.81 -31.49 72.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.362 0.601 . . . . 25.0 110.756 -176.122 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.4 m -73.75 -24.24 59.85 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.644 -179.225 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.7 -11.95 54.4 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 116.306 -0.406 . . . . 25.0 112.563 -178.747 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.2 t0 -70.18 112.4 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 25.0 111.197 -178.798 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -36.95 85.51 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -57.09 -54.69 43.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.762 -0.586 . . . . 25.0 110.452 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.88 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 119.828 -0.749 . . . . 25.0 110.197 -179.419 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 61.3 t80 -59.8 -53.03 62.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 118.654 0.661 . . . . 25.0 111.993 176.343 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 t -63.86 -43.03 97.31 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -179.391 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -61.63 -45.25 94.85 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.837 -0.539 . . . . 25.0 111.504 -178.545 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.02 -34.22 62.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -59.17 -41.22 87.9 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 175.98 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.04 -44.38 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.051 0.387 . . . . 25.0 110.375 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--N 1.321 -0.649 0 CA-C-O 121.492 0.663 . . . . 25.0 109.904 179.708 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.701 ' HB3' HD22 ' A' ' 61' ' ' LEU . 24.5 Cg_endo . . . . . 0 C--O 1.214 -0.692 0 N-CA-C 112.657 0.214 . . . . 25.0 112.657 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.7 93.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.388 -0.195 . . . . 25.0 111.18 -179.555 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.07 -35.6 61.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.048 0.452 . . . . 25.0 110.443 -178.578 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 tp -68.78 -37.3 79.22 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.288 -0.258 . . . . 25.0 111.228 -178.331 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -61.32 -45.64 93.62 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 106.361 -1.718 . . . . 25.0 106.361 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.13 80.23 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.06 -1.427 . . . . 25.0 112.673 -179.215 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -60.97 -49.1 78.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.306 0.574 . . . . 25.0 110.431 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.25 -41.15 83.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.402 -0.817 . . . . 25.0 112.774 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.42 -37.34 86.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.947 0.403 . . . . 25.0 110.341 179.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.21 -11.12 59.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.328 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -109.94 96.05 23.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 -174.665 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.79 -29.53 76.96 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 N-CA-C 115.165 1.179 . . . . 25.0 115.165 -175.366 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -76.01 -38.76 56.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 25.0 112.149 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.82 -37.82 62.21 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 -176.745 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -67.54 -31.87 72.26 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.399 -0.521 . . . . 25.0 112.207 179.467 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -74.66 -39.29 62.12 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.123 0.487 . . . . 25.0 110.375 -178.311 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.59 -33.8 69.36 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.682 0.753 . . . . 25.0 109.465 177.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 51.6 tp -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 179.811 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.46 -26.18 66.26 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 119.896 -0.722 . . . . 25.0 111.544 175.302 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -77.5 -51.89 9.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.415 0.15 . . . . 25.0 110.864 176.681 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 38' ' ' LEU . 32.7 ptt180 -73.49 -38.2 65.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.364 1.616 . . . . 25.0 115.364 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -136.97 73.16 53.17 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 114.391 1.256 . . . . 25.0 114.391 -173.473 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.51 -38.15 94.33 Favored 'Trans proline' 0 CA--C 1.555 1.567 0 N-CA-C 118.144 2.325 . . . . 25.0 118.144 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.31 -30.96 23.52 Favored 'Trans proline' 0 C--N 1.362 1.266 1 C-N-CA 112.308 -4.661 . . . . 25.0 115.959 178.15 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.98 -31.21 62.88 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.791 -1.193 . . . . 25.0 108.284 175.901 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.14 73.99 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 118.653 -0.689 . . . . 25.0 112.215 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -59.96 -31.85 70.27 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.454 1.024 . . . . 25.0 110.988 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -58.22 -45.74 87.12 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.545 -0.752 . . . . 25.0 112.169 173.175 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 tp -66.29 -42.73 87.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.689 177.354 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.37 -31.29 72.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.288 0.566 . . . . 25.0 111.055 -175.277 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.9 -23.34 60.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.583 -0.735 . . . . 25.0 111.863 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.52 -20.18 19.77 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 116.37 -0.377 . . . . 25.0 112.206 -178.248 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 46.5 t0 -62.64 113.78 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.78 0.432 . . . . 25.0 111.503 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.74 -37.5 87.81 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 176.729 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.35 -53.34 59.37 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.982 -0.449 . . . . 25.0 110.556 -175.598 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 8.7 ptmt -63.97 -37.56 87.87 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.227 -0.589 . . . . 25.0 109.939 178.207 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.571 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 70.1 t80 -59.55 -51.44 69.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.66 0.664 . . . . 25.0 112.274 176.564 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.5 t -65.31 -40.0 93.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 178.362 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.44 90.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -178.75 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.49 -34.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.8 tp -54.4 -44.98 72.79 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.795 -0.566 . . . . 25.0 110.467 178.345 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.99 -42.67 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.823 0.344 . . . . 25.0 110.975 177.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 N--CA 1.472 0.662 0 O-C-N 121.844 -0.535 . . . . 25.0 110.783 179.11 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HB3' HD22 ' A' ' 61' ' ' LEU . 43.0 Cg_endo . . . . . 0 C--O 1.219 -0.445 0 N-CA-C 112.782 0.262 . . . . 25.0 112.782 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.29 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.808 -0.442 . . . . 25.0 109.808 177.879 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.01 -35.63 49.66 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.184 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.28 -45.4 93.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 178.362 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -58.38 -47.23 84.53 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 116.07 -0.513 . . . . 25.0 109.886 177.736 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.36 -44.83 95.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.689 0.281 . . . . 25.0 111.59 -178.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.6 ttp -61.64 -47.32 85.92 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 120.766 0.317 . . . . 25.0 110.246 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.4 -44.31 97.37 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 177.872 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.57 -34.88 77.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.33 -29.38 61.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -106.57 105.9 56.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 112.856 0.688 . . . . 25.0 112.856 -167.393 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.5 -23.93 42.95 Favored 'Trans proline' 0 C--O 1.22 -0.377 0 N-CA-C 115.76 1.408 . . . . 25.0 115.76 -175.459 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -76.46 -44.71 34.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.212 1.006 . . . . 25.0 110.138 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -33.33 68.81 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.496 -1.229 . . . . 25.0 110.247 -174.473 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -27.88 60.59 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.891 -0.506 . . . . 25.0 110.26 177.755 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -43.08 59.7 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.204 -177.114 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.32 -29.46 69.66 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 119.518 -0.873 . . . . 25.0 109.81 178.894 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -69.24 -43.24 74.41 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.122 -0.944 . . . . 25.0 112.105 -177.743 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -69.53 -26.77 64.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 120.19 -0.604 . . . . 25.0 111.588 175.596 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.64 -51.95 15.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.596 0.236 . . . . 25.0 111.066 176.135 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -89.87 -28.05 19.5 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 117.186 2.291 . . . . 25.0 117.186 -174.89 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -134.86 71.35 70.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 112.945 0.72 . . . . 25.0 112.945 -177.577 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -55.51 -37.01 95.42 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 118.195 2.344 . . . . 25.0 118.195 -178.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.76 -30.23 27.76 Favored 'Trans proline' 0 C--N 1.363 1.318 1 C-N-CA 112.689 -4.407 . . . . 25.0 115.756 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.46 -34.38 60.92 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.073 -1.017 . . . . 25.0 108.462 175.241 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -49.13 74.35 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.71 -31.0 69.2 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.863 0.756 . . . . 25.0 110.386 -178.837 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.24 -41.54 99.11 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.981 -0.554 . . . . 25.0 110.191 177.932 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -67.22 -42.07 84.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.511 -0.768 . . . . 25.0 111.241 176.015 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.23 -33.5 75.63 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.54 0.686 . . . . 25.0 112.476 -172.432 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.415 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 71.6 m -73.3 -18.74 61.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.856 -0.611 . . . . 25.0 111.714 177.235 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.91 -16.32 32.87 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 116.514 -0.312 . . . . 25.0 113.286 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -64.94 115.34 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.413 0.625 . . . . 25.0 111.961 -177.438 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.85 -34.55 78.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 178.102 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -55.37 -48.86 73.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.447 0.641 . . . . 25.0 110.877 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 16.4 ptmt -75.22 -37.26 61.17 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.579 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 84.7 t80 -60.19 -48.32 82.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.674 0.67 . . . . 25.0 110.719 177.533 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 t -66.68 -42.62 86.25 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.898 0.38 . . . . 25.0 111.066 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -63.56 -44.96 92.61 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.775 -178.521 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.29 -34.03 66.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 179.094 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.0 tp -56.63 -45.07 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.088 -0.382 . . . . 25.0 110.835 176.257 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.58 -43.75 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.77 0.319 . . . . 25.0 110.196 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 . . . . . 0 C--N 1.32 -0.697 0 C-N-CA 120.729 -0.388 . . . . 25.0 111.341 179.281 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.575 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.9 Cg_endo . . . . . 0 C--O 1.214 -0.678 0 N-CA-C 112.713 0.236 . . . . 25.0 112.713 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.2 96.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.841 0.312 . . . . 25.0 111.841 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.2 mt -77.39 -37.01 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.529 -176.996 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.59 -39.17 88.29 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -44.51 87.51 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 175.429 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.32 -46.8 81.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 25.0 111.398 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.61 -49.84 76.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.505 0.669 . . . . 25.0 110.612 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.86 -42.85 99.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.39 -0.823 . . . . 25.0 112.417 -178.303 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.3 -37.99 89.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.097 0.475 . . . . 25.0 110.479 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.64 -18.98 56.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.596 -0.729 . . . . 25.0 112.264 -178.226 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -104.3 104.11 42.58 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -173.686 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -67.18 -26.61 42.27 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 N-CA-C 115.686 1.379 . . . . 25.0 115.686 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -76.15 -44.02 40.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.835 . . . . 25.0 110.091 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.63 71.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.807 -173.916 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -30.41 71.09 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.891 -0.506 . . . . 25.0 110.616 176.98 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -74.67 -40.39 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.476 0.711 . . . . 25.0 110.734 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -33.8 74.11 Favored 'General case' 0 CA--C 1.483 -1.603 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 177.756 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.67 -45.16 94.08 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.296 -0.865 . . . . 25.0 112.608 -178.836 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.98 -26.49 66.83 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 175.605 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.14 -50.45 9.03 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.119 0.485 . . . . 25.0 111.612 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -78.75 -34.31 45.84 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.563 1.32 . . . . 25.0 114.563 -178.664 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -139.01 66.53 39.49 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -174.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -54.26 -34.7 80.76 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 N-CA-C 118.67 2.527 . . . . 25.0 118.67 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.34 -32.15 26.73 Favored 'Trans proline' 0 C--N 1.363 1.314 1 C-N-CA 112.62 -4.453 . . . . 25.0 115.407 178.307 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.0 tp -75.3 -34.12 61.26 Favored 'General case' 0 CA--C 1.516 -0.362 0 O-C-N 121.001 -1.062 . . . . 25.0 108.263 176.306 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.88 -49.34 77.87 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.944 0.793 . . . . 25.0 110.813 -177.429 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.4 -40.89 98.45 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.837 176.431 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.56 -42.82 86.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.504 . . . . 25.0 110.566 177.228 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.59 -27.66 69.4 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.078 0.466 . . . . 25.0 111.5 -174.662 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 m -76.5 -22.72 54.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 112.839 0.681 . . . . 25.0 112.839 -177.46 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.9 -25.75 6.53 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.471 -0.395 . . . . 25.0 112.526 -176.382 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -57.42 102.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.864 1.266 . . . . 25.0 112.326 177.942 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.58 -34.04 76.18 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -54.37 -50.8 66.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.032 0.444 . . . . 25.0 111.404 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -73.38 -35.62 65.94 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 120.152 -0.619 . . . . 25.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 74.9 t80 -59.81 -50.67 72.92 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.236 -0.586 . . . . 25.0 111.112 177.477 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.4 t -64.72 -39.74 94.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 178.344 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -60.11 -50.16 74.78 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 178.175 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.0 -34.15 65.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.6 tp -57.06 -47.68 80.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.092 -0.38 . . . . 25.0 111.41 178.127 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.37 -34.72 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.264 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 175.612 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.659 ' HB3' HD22 ' A' ' 61' ' ' LEU . 35.6 Cg_endo . . . . . 0 C--O 1.218 -0.49 0 N-CA-C 112.663 0.217 . . . . 25.0 112.663 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.044 -0.41 . . . . 25.0 110.7 178.267 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.96 -33.15 57.67 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.411 -0.358 . . . . 25.0 110.409 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.422 -0.584 . . . . 25.0 109.422 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -57.63 -41.99 82.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 177.376 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.11 -44.92 87.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.878 0.371 . . . . 25.0 111.798 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.8 ttp -63.16 -43.45 98.25 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.562 -0.29 . . . . 25.0 110.355 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.7 -44.16 96.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.498 0.555 . . . . 25.0 112.498 177.76 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.58 -34.63 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 25.0 109.947 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.24 -10.94 59.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.784 -0.644 . . . . 25.0 112.471 178.54 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -118.1 99.04 51.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -175.346 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.1 -25.61 58.33 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 115.362 1.255 . . . . 25.0 115.362 -176.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -76.18 -40.88 51.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.73 0.776 . . . . 25.0 110.707 178.911 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.66 -37.47 62.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.695 0.759 . . . . 25.0 109.083 -174.946 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -30.2 70.69 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.704 -0.623 . . . . 25.0 110.243 176.521 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.82 -42.6 57.73 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.965 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.04 -30.09 70.56 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.281 1.039 . . . . 25.0 109.713 178.789 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 tp -66.33 -44.37 83.55 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.497 -1.229 . . . . 25.0 111.794 -179.537 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -73.19 -26.17 61.06 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 119.83 -0.748 . . . . 25.0 112.01 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -69.09 -46.82 66.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.133 0.492 . . . . 25.0 110.615 177.128 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -106.17 -23.99 12.45 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 117.941 2.571 . . . . 25.0 117.941 -173.752 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -134.14 67.5 73.29 Favored Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -178.197 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -54.89 -34.52 86.13 Favored 'Trans proline' 0 CA--C 1.549 1.26 0 N-CA-C 118.632 2.512 . . . . 25.0 118.632 -177.628 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.59 -34.01 26.84 Favored 'Trans proline' 0 C--N 1.361 1.221 1 C-N-CA 112.698 -4.401 . . . . 25.0 115.149 177.891 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.59 -31.7 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.025 -1.047 . . . . 25.0 108.359 176.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.34 76.12 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.708 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.13 -31.35 69.99 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.781 0.719 . . . . 25.0 110.525 -178.029 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.36 -42.07 99.11 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.368 -0.833 . . . . 25.0 111.596 176.813 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.8 tp -67.13 -42.91 83.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.19 -33.17 75.18 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.191 0.519 . . . . 25.0 110.935 -174.703 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -72.09 -24.02 61.43 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.614 -0.721 . . . . 25.0 111.541 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.81 -22.06 12.88 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 121.485 -0.388 . . . . 25.0 112.706 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -62.79 108.57 1.21 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.362 0.601 . . . . 25.0 111.189 -179.411 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.68 -34.38 77.0 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.103 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.05 -51.9 66.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.019 0.438 . . . . 25.0 110.556 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 14.5 ptmt -69.44 -37.35 77.34 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.647 -0.821 . . . . 25.0 111.434 178.947 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.512 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 73.0 t80 -58.67 -50.21 74.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.573 0.624 . . . . 25.0 110.953 175.746 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -64.31 -42.57 96.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.57 -48.37 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.909 -0.495 . . . . 25.0 110.044 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.95 -34.1 67.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 -178.577 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 21' ' ' PRO . 5.6 tp -53.09 -45.17 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.095 -0.378 . . . . 25.0 111.148 177.551 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.81 -42.92 82.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.754 0.311 . . . . 25.0 110.188 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 C--N 1.322 -0.629 0 CA-C-O 120.997 0.427 . . . . 25.0 110.662 -178.044 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB3' HD22 ' A' ' 61' ' ' LEU . 72.2 Cg_endo . . . . . 0 C--O 1.215 -0.668 0 N-CA-C 113.019 0.354 . . . . 25.0 113.019 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.438 -0.579 . . . . 25.0 109.438 177.051 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.82 -39.64 76.38 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.96 -44.09 90.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.445 -0.502 . . . . 25.0 110.426 178.036 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -56.53 -45.03 81.34 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 176.256 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -43.17 90.66 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -177.783 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.0 -48.56 81.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.415 0.626 . . . . 25.0 109.421 177.476 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.74 -42.25 96.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.913 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.54 -37.27 85.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 25.0 110.537 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.55 -14.86 57.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.654 -179.408 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -108.39 99.98 35.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 -173.764 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.57 -25.37 55.01 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 N-CA-C 115.234 1.205 . . . . 25.0 115.234 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -76.08 -43.1 45.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.466 0.65 . . . . 25.0 111.026 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.38 -39.49 62.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.599 . . . . 25.0 109.462 -174.754 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -29.28 70.15 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.752 -0.593 . . . . 25.0 110.419 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 t -74.67 -42.23 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.068 0.547 . . . . 25.0 111.336 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.42 -32.5 73.43 Favored 'General case' 0 CA--C 1.481 -1.701 0 O-C-N 121.527 -0.733 . . . . 25.0 109.142 177.24 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -64.92 -45.15 87.06 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 115.095 -0.957 . . . . 25.0 112.016 -179.249 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.51 -27.85 66.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 119.884 -0.726 . . . . 25.0 112.268 174.846 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -48.23 31.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.244 0.545 . . . . 25.0 111.807 177.279 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -93.26 -32.72 14.23 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.837 1.791 . . . . 25.0 115.837 -175.307 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -131.07 67.62 80.97 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -55.32 -35.23 91.05 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 118.16 2.331 . . . . 25.0 118.16 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -69.4 -28.54 26.88 Favored 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 112.395 -4.603 . . . . 25.0 115.648 177.909 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.5 tp -75.51 -35.13 60.83 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.711 -1.243 . . . . 25.0 108.305 174.213 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -47.99 81.1 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.816 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.67 -31.47 70.72 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.832 0.742 . . . . 25.0 110.619 -176.493 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.36 86.97 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.132 -0.486 . . . . 25.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.39 -42.86 82.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.24 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.99 -28.86 70.38 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.763 0.792 . . . . 25.0 110.049 -176.354 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -79.68 -14.95 58.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.513 -177.83 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.73 -30.58 3.47 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.648 0.619 . . . . 25.0 114.648 178.042 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.77 109.56 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.268 0.556 . . . . 25.0 112.447 -178.742 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.8 -33.86 76.08 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 106.726 -1.583 . . . . 25.0 106.726 176.205 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.62 -54.29 39.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 25.0 111.795 179.243 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -73.37 -32.84 64.74 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 120.528 -0.469 . . . . 25.0 110.242 -177.909 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.01 -51.71 65.77 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 123.116 0.26 . . . . 25.0 110.604 177.45 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 t -65.0 -40.79 95.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.916 0.389 . . . . 25.0 110.087 -178.882 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -49.85 72.35 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.278 -0.569 . . . . 25.0 111.231 -178.821 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.5 -29.38 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 -178.423 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.3 tp -60.24 -41.45 93.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 176.476 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.13 -37.13 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 122.395 -0.19 . . . . 25.0 110.797 178.3 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 174.659 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.628 ' HB3' HD22 ' A' ' 61' ' ' LEU . 33.7 Cg_endo . . . . . 0 C--O 1.216 -0.623 0 N-CA-C 112.789 0.265 . . . . 25.0 112.789 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.94 82.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 -178.814 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 mt -68.56 -45.68 71.48 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 178.548 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.79 -39.77 95.06 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.852 -0.339 . . . . 25.0 111.456 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -58.77 -45.11 90.52 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.96 -42.52 76.51 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.548 -0.461 . . . . 25.0 111.252 -174.94 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.2 ttp -62.02 -42.52 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.771 0.428 . . . . 25.0 111.144 177.391 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -65.9 -42.82 89.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.88 0.371 . . . . 25.0 110.874 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.49 -38.23 89.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.251 0.548 . . . . 25.0 110.251 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.84 -15.64 59.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.27 -179.173 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -109.07 97.08 23.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.029 0.442 . . . . 25.0 111.642 -174.856 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.73 -25.61 61.06 Favored 'Trans proline' 0 C--N 1.346 0.415 0 N-CA-C 114.961 1.1 . . . . 25.0 114.961 -175.226 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -75.95 -42.25 49.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.14 0.495 . . . . 25.0 110.951 178.879 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.59 -43.9 62.74 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -175.277 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -58.3 -30.16 66.43 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.845 -0.534 . . . . 25.0 111.367 177.359 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -74.66 -39.94 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.738 0.815 . . . . 25.0 111.298 179.301 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.74 -33.59 68.82 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 177.909 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.52 -46.54 89.77 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.15 -0.932 . . . . 25.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -65.94 -26.14 67.45 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 174.745 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.74 -45.17 14.74 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 178.35 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.23 -31.4 17.92 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.639 1.348 . . . . 25.0 114.639 -176.445 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.58 64.44 51.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 113.122 0.786 . . . . 25.0 113.122 -177.037 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.62 -34.33 82.73 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 N-CA-C 118.725 2.548 . . . . 25.0 118.725 -177.293 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.42 -33.49 23.04 Favored 'Trans proline' 0 C--N 1.361 1.204 1 C-N-CA 112.525 -4.516 . . . . 25.0 115.426 178.57 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.26 -33.59 61.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.84 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -61.62 -49.33 77.04 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 118.439 -0.791 . . . . 25.0 112.281 179.734 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.96 -31.51 71.85 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.585 1.084 . . . . 25.0 110.775 -176.106 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.9 -43.18 96.74 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.067 176.176 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.09 -43.37 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.698 179.01 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 19.2 mt -64.49 -33.06 75.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.394 0.616 . . . . 25.0 110.599 -173.556 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.42 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 65.7 m -73.18 -21.97 60.57 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.288 -0.869 . . . . 25.0 112.074 -178.067 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.64 -20.3 32.2 Favored Glycine 0 CA--C 1.516 0.143 0 N-CA-C 114.896 0.718 . . . . 25.0 114.896 177.884 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.62 119.25 11.41 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 118.164 0.982 . . . . 25.0 111.481 -178.394 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.5 -35.11 78.5 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.106 -0.638 . . . . 25.0 109.846 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.97 -46.58 84.91 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.837 -0.745 . . . . 25.0 111.084 178.885 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 18.7 ptmt -70.68 -37.44 73.64 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -62.47 -49.85 73.78 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.298 -0.561 . . . . 25.0 111.371 178.173 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -67.02 -38.89 86.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.794 0.665 . . . . 25.0 112.794 -179.127 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.77 -45.08 83.86 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -178.703 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.17 -34.27 68.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 177.463 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.628 HD22 ' HB3' ' A' ' 21' ' ' PRO . 4.7 tp -53.84 -43.53 69.56 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 122.157 -0.34 . . . . 25.0 110.833 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.74 -44.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 117.994 0.361 . . . . 25.0 111.167 177.895 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 121.716 0.77 . . . . 25.0 109.298 179.977 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HB3' HD22 ' A' ' 61' ' ' LEU . 30.1 Cg_endo . . . . . 0 C--O 1.217 -0.562 0 CA-C-O 120.546 0.144 . . . . 25.0 111.904 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.95 87.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.63 0.253 . . . . 25.0 111.058 179.429 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.58 -41.51 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.546 -0.752 . . . . 25.0 110.782 -177.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.77 -39.15 90.74 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.47 -0.492 . . . . 25.0 110.357 -179.118 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -43.21 93.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.592 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -64.87 -46.19 82.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.227 0.537 . . . . 25.0 111.201 -177.611 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -60.67 -48.37 82.07 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.892 -0.595 . . . . 25.0 110.162 178.08 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.89 -34.63 78.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.445 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.5 -15.37 56.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -109.62 102.18 49.02 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -173.251 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.73 -25.07 46.72 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 N-CA-C 115.101 1.154 . . . . 25.0 115.101 -177.306 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -77.63 -44.35 28.48 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.726 -0.608 . . . . 25.0 110.839 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.83 76.77 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 -175.922 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -30.41 69.95 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.491 -0.756 . . . . 25.0 111.106 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -74.32 -46.75 38.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.642 0.377 . . . . 25.0 110.809 179.147 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.05 -29.85 70.77 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 119.921 -0.712 . . . . 25.0 109.987 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.67 -42.2 74.48 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.06 -26.27 66.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 119.779 -0.768 . . . . 25.0 110.703 175.048 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.75 -53.42 8.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -80.7 -29.47 36.46 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.07 1.878 . . . . 25.0 116.07 -175.643 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.09 69.22 41.72 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -55.86 -35.76 94.4 Favored 'Trans proline' 0 CA--C 1.552 1.404 0 N-CA-C 118.424 2.432 . . . . 25.0 118.424 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.05 -28.92 28.08 Favored 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 112.519 -4.52 . . . . 25.0 115.817 178.016 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -75.49 -35.58 60.78 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.204 . . . . 25.0 108.324 175.344 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.17 77.24 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.203 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.29 -31.37 69.06 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.205 0.911 . . . . 25.0 111.384 -177.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.23 96.87 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.092 0.472 . . . . 25.0 110.743 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.75 -44.13 67.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.604 -0.726 . . . . 25.0 110.506 178.174 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.36 -29.7 70.96 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.781 0.801 . . . . 25.0 110.213 -175.715 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.41 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . 15.4 t -76.31 -18.7 58.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.984 -1.007 . . . . 25.0 112.315 -178.114 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.78 -23.68 18.84 Favored Glycine 0 C--O 1.23 -0.143 0 N-CA-C 114.873 0.709 . . . . 25.0 114.873 174.667 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 29.3 t0 -68.83 114.66 7.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.989 0.423 . . . . 25.0 111.764 -178.052 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.74 -34.99 79.12 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.81 -51.69 68.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.563 -178.698 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HG2' ' HB3' ' A' ' 53' ' ' ASP . 15.2 ptmt -67.03 -35.44 79.9 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 119.866 -0.734 . . . . 25.0 110.731 178.577 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.82 -50.27 72.96 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 120.586 -0.446 . . . . 25.0 110.767 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -62.44 -43.0 99.87 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.067 0.547 . . . . 25.0 111.788 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -62.78 -45.31 93.25 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 116.247 -0.433 . . . . 25.0 110.228 -178.717 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.38 -32.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -57.24 -47.56 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.924 -0.485 . . . . 25.0 111.861 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.57 -34.36 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.048 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 25.0 108.989 176.079 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.697 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.7 Cg_endo . . . . . 0 C--O 1.215 -0.64 0 CA-C-O 120.347 0.061 . . . . 25.0 112.104 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.41 93.17 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.391 -0.193 . . . . 25.0 110.829 -179.226 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.68 -38.41 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.086 -0.339 . . . . 25.0 110.086 -177.818 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.8 -40.95 92.42 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.967 -0.293 . . . . 25.0 110.507 179.363 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.24 -44.68 92.34 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 176.806 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -43.55 93.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.089 -0.505 . . . . 25.0 112.357 -177.305 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.02 -43.48 98.59 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.996 0.426 . . . . 25.0 110.998 176.726 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.23 -40.24 93.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.259 -0.428 . . . . 25.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.38 -33.34 75.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.94 0.4 . . . . 25.0 110.62 178.325 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.0 -16.38 47.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -113.35 107.38 53.63 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.32 0.859 . . . . 25.0 113.32 -171.436 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.83 -30.5 40.52 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 N-CA-C 116.537 1.706 . . . . 25.0 116.537 -174.98 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -76.08 -37.39 58.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.643 1.211 . . . . 25.0 110.369 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.34 58.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.184 -0.917 . . . . 25.0 109.588 -174.812 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -30.5 61.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.346 -0.388 . . . . 25.0 111.221 175.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.4 p -74.76 -40.25 61.32 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 122.259 -0.275 . . . . 25.0 111.268 -179.15 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.22 -31.76 73.08 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.094 0.949 . . . . 25.0 109.444 176.582 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.19 -43.95 80.87 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.736 -1.12 . . . . 25.0 112.121 -177.714 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.2 -29.56 68.44 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.087 -0.645 . . . . 25.0 111.427 175.432 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.36 -51.93 13.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -91.89 -23.69 19.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.812 1.782 . . . . 25.0 115.812 -174.747 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -135.97 66.3 61.07 Favored Pre-proline 0 N--CA 1.482 1.168 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 177.651 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.37 -35.18 83.5 Favored 'Trans proline' 0 CA--C 1.555 1.532 0 N-CA-C 118.912 2.62 . . . . 25.0 118.912 -178.336 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.17 -31.85 22.28 Favored 'Trans proline' 0 C--N 1.361 1.214 1 C-N-CA 112.653 -4.432 . . . . 25.0 115.728 178.16 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -75.45 -31.34 60.27 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 175.578 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -63.99 -49.38 72.69 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.658 -0.687 . . . . 25.0 112.641 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -32.14 70.27 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.153 0.888 . . . . 25.0 110.888 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.69 -43.99 97.39 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.634 -0.712 . . . . 25.0 112.268 174.569 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.99 -43.38 87.94 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.315 -0.857 . . . . 25.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 16.3 mt -63.41 -32.41 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.307 0.575 . . . . 25.0 110.668 -174.728 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.8 m -70.31 -24.61 63.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.529 -0.759 . . . . 25.0 111.88 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.31 -15.63 38.77 Favored Glycine 0 CA--C 1.518 0.225 0 CA-C-N 116.312 -0.403 . . . . 25.0 112.224 -177.816 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.418 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 50.0 t0 -65.94 113.63 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 25.0 110.95 -179.596 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -65.7 -36.3 83.24 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 177.183 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.83 -52.04 67.13 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.894 -0.504 . . . . 25.0 110.866 -177.436 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.0 ptmt -66.21 -36.5 83.2 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.727 -0.654 . . . . 25.0 109.378 179.736 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 57.5 t80 -61.61 -52.08 65.84 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 118.383 0.538 . . . . 25.0 112.145 176.274 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.4 t -63.63 -38.45 91.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.157 0.503 . . . . 25.0 112.054 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -48.58 72.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.695 -0.483 . . . . 25.0 109.695 -178.596 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.26 33.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 -178.48 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.9 tp -59.83 -47.72 84.56 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.782 -0.574 . . . . 25.0 111.206 178.858 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.19 -34.08 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.253 -0.579 . . . . 25.0 110.886 -178.821 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--N 1.321 -0.666 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 175.54 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.1 m . . . . . 0 N--CA 1.528 3.446 0 CA-C-O 122.936 1.35 . . . . 25.0 113.535 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -76.82 133.76 39.27 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -140.73 167.82 21.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.113 -1.44 . . . . 25.0 107.113 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.6 p -149.34 167.43 26.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.051 -1.462 . . . . 25.0 107.051 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -138.6 154.86 48.71 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -93.56 163.54 13.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -127.93 71.39 78.55 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.134 0.492 . . . . 25.0 110.744 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -74.65 178.09 7.58 Favored 'Trans proline' 0 C--N 1.347 0.475 0 N-CA-C 110.571 -0.588 . . . . 25.0 110.571 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.06 25.26 3.64 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 115.118 0.807 . . . . 25.0 115.118 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.45 30.09 0.92 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.955 0.883 . . . . 25.0 111.344 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.01 -7.33 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.351 0 CA-C-O 123.334 1.54 . . . . 25.0 112.118 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.53 78.87 1.8 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 113.487 -1.688 . . . . 25.0 112.397 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -127.03 0.89 6.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.619 -1.173 . . . . 25.0 114.067 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.6 m 43.74 51.54 7.74 Favored Pre-proline 0 N--CA 1.484 1.236 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.1 -20.11 22.07 Favored 'Trans proline' 0 C--N 1.35 0.605 0 N-CA-C 115.995 1.498 . . . . 25.0 115.995 -169.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -80.4 22.79 0.53 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.39 29.7 75.32 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.931 -0.652 . . . . 25.0 112.087 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.92 -36.88 83.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.778 0.799 . . . . 25.0 110.591 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.5 -19.61 30.94 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.567 -1.197 . . . . 25.0 110.269 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -123.58 77.99 55.39 Favored Pre-proline 0 C--O 1.243 0.75 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.597 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.9 Cg_endo -60.62 -27.33 84.64 Favored 'Trans proline' 0 C--O 1.219 -0.433 0 N-CA-C 113.175 0.413 . . . . 25.0 113.175 177.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.92 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.868 0.366 . . . . 25.0 110.192 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.49 -39.29 67.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.688 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.77 -42.23 91.1 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.76 -0.376 . . . . 25.0 110.508 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.33 -43.85 88.42 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 108.46 -0.941 . . . . 25.0 108.46 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -46.63 85.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.638 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.65 -42.98 99.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.804 0.335 . . . . 25.0 110.999 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' A' ' 34' ' ' GLU . 12.7 mt -64.01 -42.65 97.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.337 -178.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.92 -35.12 79.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.913 0.387 . . . . 25.0 110.071 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -10.98 59.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -116.79 101.9 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -66.49 -24.74 48.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.646 1.364 . . . . 25.0 115.646 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.04 -43.35 44.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.731 0.777 . . . . 25.0 110.455 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HB3' HD23 ' A' ' 28' ' ' LEU . 4.9 mm-40 -70.9 -41.08 71.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.451 -0.795 . . . . 25.0 108.88 -174.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -30.3 71.26 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.916 -0.49 . . . . 25.0 110.872 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -74.67 -41.03 61.04 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.869 0.468 . . . . 25.0 111.412 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -33.73 74.38 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.2 tp -64.68 -44.23 90.99 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.366 -0.834 . . . . 25.0 112.048 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.02 -26.24 64.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.925 -0.71 . . . . 25.0 112.596 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.67 -51.89 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.242 0.544 . . . . 25.0 110.863 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -82.37 -34.09 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.75 1.389 . . . . 25.0 114.75 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -135.19 69.05 69.72 Favored Pre-proline 0 C--O 1.243 0.715 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -55.4 -35.8 92.6 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 N-CA-C 118.394 2.421 . . . . 25.0 118.394 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.22 -29.37 26.57 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.5 -4.534 . . . . 25.0 115.84 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.9 tp -75.51 -35.44 60.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 120.658 -1.276 . . . . 25.0 108.09 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.67 82.49 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 115.604 -0.725 . . . . 25.0 112.75 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -61.46 -31.29 71.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.929 0.786 . . . . 25.0 110.974 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.23 90.32 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.369 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.48 -42.46 74.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.362 -0.381 . . . . 25.0 110.507 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.76 -27.27 69.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.555 0.693 . . . . 25.0 110.343 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -78.19 -17.53 56.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.05 -0.977 . . . . 25.0 112.353 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.03 -31.82 4.24 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 114.757 0.663 . . . . 25.0 114.757 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -58.43 109.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.783 0.833 . . . . 25.0 112.466 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.42 -36.66 83.08 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.83 -44.07 86.21 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.776 -0.578 . . . . 25.0 112.307 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.22 -34.55 61.48 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.668 -0.645 . . . . 25.0 110.1 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.8 -49.88 75.72 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.555 -0.458 . . . . 25.0 110.004 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -62.92 -43.52 98.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.72 -47.7 83.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.318 . . . . 25.0 110.18 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.03 -32.6 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 21' ' ' PRO . 3.1 tp -57.12 -44.57 83.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.872 -0.517 . . . . 25.0 110.493 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.5 t -68.13 -43.16 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 120.655 0.264 . . . . 25.0 110.514 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.7 -41.88 91.74 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.276 0.56 . . . . 25.0 110.185 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -67.12 -37.88 84.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.389 -0.369 . . . . 25.0 110.896 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.18 -37.4 85.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.841 -0.537 . . . . 25.0 110.905 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.45 -43.49 97.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 25.0 109.749 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.69 -36.93 76.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.961 0.41 . . . . 25.0 111.52 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -60.36 -52.55 64.76 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.0 67.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -175.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -63.94 -43.6 95.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 118.179 0.445 . . . . 25.0 110.007 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -86.1 -33.51 20.91 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -37.96 85.54 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.231 -0.293 . . . . 25.0 110.293 -175.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -57.79 -35.56 70.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.82 0.304 . . . . 25.0 111.82 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -69.34 -39.64 78.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.155 0.503 . . . . 25.0 109.948 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -71.39 -44.15 65.51 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.2 pt -69.32 -18.85 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 111.941 0.349 . . . . 25.0 111.941 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -68.18 -18.93 64.73 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 121.351 -0.14 . . . . 25.0 111.0 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.98 -52.11 5.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.936 -0.765 . . . . 25.0 108.936 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -158.66 150.28 20.98 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -167.03 95.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.328 0.251 . . . . 25.0 111.6 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -158.92 31.44 0.21 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -117.86 97.26 50.6 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -87.12 164.64 8.54 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 120.379 0.72 . . . . 25.0 111.976 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -145.24 4.86 1.08 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.565 1.174 . . . . 25.0 112.723 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -123.97 56.82 1.22 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 113.735 -1.575 . . . . 25.0 110.935 -163.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.1 mt -59.71 -26.77 65.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.83 -26.64 44.22 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.624 -0.262 . . . . 25.0 111.197 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 29.75 56.1 0.15 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.629 1.571 . . . . 25.0 114.495 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -59.3 143.14 50.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.905 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.22 165.18 28.15 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.161 -1.422 . . . . 25.0 107.161 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.35 166.89 24.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.1 mt -121.91 122.76 67.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 101.208 -3.627 . . . . 25.0 101.208 174.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -113.74 155.46 25.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.647 -0.872 . . . . 25.0 108.647 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -154.37 155.99 36.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -175.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -141.3 73.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.243 1.02 . . . . 25.0 110.182 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.7 pt -91.12 33.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.341 -0.845 . . . . 25.0 111.099 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.64 55.83 3.13 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.478 0.656 . . . . 25.0 111.502 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 127.062 2.145 . . . . 25.0 113.193 179.235 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.0 p . . . . . 0 N--CA 1.496 1.831 0 N-CA-C 114.731 1.382 . . . . 25.0 114.731 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 57.19 36.26 27.25 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.743 1.217 . . . . 25.0 109.971 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -75.21 141.87 43.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.14 -0.936 . . . . 25.0 110.792 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.0 m -118.34 160.92 20.8 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.137 0.575 . . . . 25.0 110.133 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -97.22 -31.98 12.16 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.021 1.119 . . . . 25.0 114.021 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 49.08 39.66 15.58 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.367 0.877 . . . . 25.0 113.367 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -115.98 144.19 32.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -78.46 171.16 17.29 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 118.118 -0.788 . . . . 25.0 112.103 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.55 30.18 5.22 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.698 -0.961 . . . . 25.0 110.698 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -74.44 31.79 0.09 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.949 1.833 . . . . 25.0 115.949 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.409 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -85.84 21.77 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 122.234 1.016 . . . . 25.0 109.12 173.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.5 p -66.77 141.19 57.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.344 1.068 . . . . 25.0 112.958 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.82 -7.94 53.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.477 -0.783 . . . . 25.0 110.673 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.61 -47.59 98.71 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 114.633 1.346 . . . . 25.0 114.633 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.9 -24.78 20.62 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 114.774 -3.018 . . . . 25.0 113.821 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -69.03 -31.91 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.03 -8.62 61.74 Favored Glycine 0 CA--C 1.521 0.451 0 CA-C-N 115.329 -0.85 . . . . 25.0 114.311 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -76.71 -35.23 57.97 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 118.113 0.957 . . . . 25.0 108.999 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -78.76 -32.68 46.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.655 1.217 . . . . 25.0 107.957 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -117.47 82.55 15.52 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 114.955 -1.021 . . . . 25.0 112.733 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.581 ' HB3' HD22 ' A' ' 61' ' ' LEU . 39.4 Cg_endo -62.09 -25.99 77.83 Favored 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-O 121.111 0.379 . . . . 25.0 112.007 175.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.02 99.74 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.007 -0.433 . . . . 25.0 110.547 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.32 -34.46 48.59 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.459 -0.337 . . . . 25.0 111.244 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.23 -40.18 93.7 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.53 -41.86 90.97 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -66.56 -46.26 76.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 25.0 111.069 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.1 ttp -62.56 -41.17 98.74 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.739 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.1 -42.37 94.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.697 0.284 . . . . 25.0 111.452 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.85 -36.42 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 25.0 110.439 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.98 60.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.396 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -114.14 99.1 50.06 Favored Pre-proline 0 C--O 1.238 0.452 0 N-CA-C 112.478 0.548 . . . . 25.0 112.478 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.92 -26.47 59.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 N-CA-C 115.583 1.34 . . . . 25.0 115.583 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -77.02 -40.65 45.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.863 0.839 . . . . 25.0 110.946 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.82 -34.06 69.02 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.701 0.763 . . . . 25.0 109.271 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 -30.77 61.63 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.593 -0.692 . . . . 25.0 111.221 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.1 p -75.78 -39.5 56.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.154 -0.341 . . . . 25.0 111.783 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.96 -31.57 72.23 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -66.43 -43.23 86.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.409 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.95 -26.79 65.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.236 -0.586 . . . . 25.0 111.668 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.52 -52.97 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.175 0.512 . . . . 25.0 111.584 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -90.28 -24.65 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.775 1.768 . . . . 25.0 115.775 -170.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.89 67.21 41.68 Favored Pre-proline 0 C--O 1.241 0.618 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -56.31 -33.65 91.92 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 N-CA-C 118.362 2.409 . . . . 25.0 118.362 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -68.4 -29.44 31.38 Favored 'Trans proline' 0 C--N 1.363 1.321 1 C-N-CA 112.049 -4.834 . . . . 25.0 115.203 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -76.98 -36.0 56.77 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.963 -1.086 . . . . 25.0 108.545 175.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.32 73.93 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 120.097 -0.641 . . . . 25.0 112.231 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.68 -30.77 67.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.732 0.696 . . . . 25.0 111.199 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -65.39 -39.79 92.66 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.655 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.21 -45.94 65.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.838 -0.619 . . . . 25.0 110.168 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.96 -30.45 71.53 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 121.907 0.86 . . . . 25.0 110.266 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 t -73.53 -18.95 61.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.024 -0.989 . . . . 25.0 112.327 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.33 -20.72 15.83 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 113.993 0.357 . . . . 25.0 113.993 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -70.66 112.12 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.145 0.497 . . . . 25.0 111.701 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.75 -34.4 77.13 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.35 -52.02 66.13 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.557 0.694 . . . . 25.0 110.178 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -69.88 -34.88 74.15 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.817 -0.753 . . . . 25.0 110.666 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 81.0 t80 -61.87 -50.62 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.164 0.438 . . . . 25.0 111.196 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -61.67 -42.6 99.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.797 0.439 . . . . 25.0 111.577 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.66 -49.05 79.08 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.661 -0.649 . . . . 25.0 110.045 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.19 -32.2 54.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.9 tp -57.93 -43.69 86.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.727 -0.389 . . . . 25.0 111.208 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.82 -42.32 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.993 0.425 . . . . 25.0 110.393 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.97 -39.58 90.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.604 0.716 . . . . 25.0 109.269 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -72.65 -35.05 67.65 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.282 -0.417 . . . . 25.0 110.856 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -64.21 -35.66 81.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.407 0.549 . . . . 25.0 109.923 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -62.88 -41.11 99.29 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.923 -0.311 . . . . 25.0 110.641 177.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -69.97 -38.97 76.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.704 0.764 . . . . 25.0 110.704 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -61.43 -36.27 79.89 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 118.573 -0.727 . . . . 25.0 110.519 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.74 70.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.145 0.498 . . . . 25.0 111.725 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -69.01 -37.93 78.96 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.856 0.836 . . . . 25.0 109.778 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -81.1 -27.33 35.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.232 -0.895 . . . . 25.0 110.773 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.3 -29.19 68.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.806 -1.088 . . . . 25.0 110.732 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -56.82 -33.77 67.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.993 0.425 . . . . 25.0 111.545 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -75.24 -34.28 61.4 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.841 -0.537 . . . . 25.0 111.615 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -71.03 -41.0 71.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.174 0.435 . . . . 25.0 112.174 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.0 pt -68.52 -14.84 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 120.699 0.285 . . . . 25.0 111.434 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -58.69 -37.67 76.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 14.7 tp 54.41 -176.54 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.299 1.44 . . . . 25.0 113.674 176.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.404 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 20.0 m-85 61.64 -19.65 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 117.821 2.526 . . . . 25.0 117.821 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.6 m -152.62 27.61 0.56 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.15 18.99 2.27 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 -177.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.72 153.72 95.55 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 113.059 -1.882 . . . . 25.0 110.942 -170.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -72.48 161.56 43.87 Favored 'Trans proline' 0 C--N 1.347 0.482 0 N-CA-C 114.569 0.95 . . . . 25.0 114.569 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -113.16 20.75 15.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.942 -1.026 . . . . 25.0 108.496 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -84.39 58.88 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.344 1.069 . . . . 25.0 108.637 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.64 -23.39 63.48 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.686 -1.143 . . . . 25.0 112.08 -174.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -72.83 -25.2 61.04 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.195 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.31 30.56 0.87 Allowed 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 123.37 0.668 . . . . 25.0 112.397 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -111.08 156.48 21.26 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.11 174.78 0.25 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.509 1.523 . . . . 25.0 114.924 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.0 tttt 66.95 156.52 0.11 Allowed 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 113.521 -1.672 . . . . 25.0 112.752 -174.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.9 mt -138.6 132.69 41.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 102.593 -3.114 . . . . 25.0 102.593 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -88.38 162.59 16.45 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -98.22 127.86 44.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.4 0.619 . . . . 25.0 110.187 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -118.27 85.23 2.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.276 1.036 . . . . 25.0 109.068 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.2 pt -95.59 19.12 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.651 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -80.66 51.83 1.57 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.508 1.147 . . . . 25.0 112.388 -174.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 . . . . . 0 C--O 1.211 -0.927 0 CA-C-O 123.342 1.544 . . . . 25.0 111.715 175.857 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -152.19 44.34 0.72 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 60.41 -150.99 0.41 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m 59.22 23.5 11.85 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -75.73 135.23 40.35 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -152.74 167.12 30.06 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.1 p -95.03 152.46 39.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.45 169.72 21.8 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 118.079 -0.814 . . . . 25.0 112.852 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.74 -35.55 6.8 Favored Glycine 0 C--O 1.22 -0.743 0 CA-C-N 115.418 -0.81 . . . . 25.0 113.879 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 43.07 44.42 4.18 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.634 1.207 . . . . 25.0 111.479 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.69 -4.59 8.92 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-O 123.621 1.676 . . . . 25.0 110.933 -170.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.3 p -126.49 158.96 34.74 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 112.558 -2.11 . . . . 25.0 108.134 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 m -80.21 -1.59 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.6 m -150.78 63.54 5.89 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.74 -23.13 26.69 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 117.814 -0.99 . . . . 25.0 113.13 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -76.73 28.15 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.207 0.817 . . . . 25.0 113.207 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.81 27.54 66.84 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 115.281 0.872 . . . . 25.0 115.281 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.41 -33.76 71.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.575 0.687 . . . . 25.0 109.728 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.62 -23.29 39.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.226 1.012 . . . . 25.0 109.496 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -122.51 78.04 46.2 Favored Pre-proline 0 C--O 1.237 0.399 0 N-CA-C 113.839 1.052 . . . . 25.0 113.839 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.638 ' HB3' HD22 ' A' ' 61' ' ' LEU . 22.2 Cg_endo -59.0 -30.27 92.92 Favored 'Trans proline' 0 C--O 1.215 -0.63 0 N-CA-C 113.383 0.493 . . . . 25.0 113.383 175.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.82 89.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.198 -0.314 . . . . 25.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -38.94 66.43 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.857 -0.423 . . . . 25.0 109.857 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.56 -42.56 95.59 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.896 -0.322 . . . . 25.0 110.333 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -58.26 -44.99 88.61 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.7 -45.23 93.71 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.005 0.431 . . . . 25.0 111.155 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.1 ttp -64.24 -41.66 96.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.181 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.1 -40.68 90.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.763 0.316 . . . . 25.0 111.602 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.73 -36.23 82.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 25.0 109.872 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.79 -17.13 51.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -105.96 101.91 36.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 112.592 0.59 . . . . 25.0 112.592 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.96 -26.9 43.38 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 N-CA-C 115.409 1.273 . . . . 25.0 115.409 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -76.14 -43.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.612 -0.68 . . . . 25.0 110.932 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.55 -39.84 70.41 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.152 -0.684 . . . . 25.0 109.152 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -30.27 71.34 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.745 -0.597 . . . . 25.0 110.931 177.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -74.75 -41.05 60.83 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.084 0.554 . . . . 25.0 111.885 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.02 -33.79 75.27 Favored 'General case' 0 CA--C 1.479 -1.782 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.48 -46.21 87.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.314 -0.857 . . . . 25.0 111.954 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.47 -27.23 65.96 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 120.026 -0.67 . . . . 25.0 112.407 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -76.39 -47.58 22.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.621 0.6 . . . . 25.0 112.621 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.72 -33.46 16.58 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.749 1.388 . . . . 25.0 114.749 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -133.87 69.84 75.19 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.72 -37.03 91.77 Favored 'Trans proline' 0 CA--C 1.551 1.371 0 N-CA-C 118.533 2.474 . . . . 25.0 118.533 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.63 -29.64 24.18 Favored 'Trans proline' 0 C--N 1.361 1.222 1 C-N-CA 112.511 -4.526 . . . . 25.0 116.096 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.43 -33.46 60.91 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.707 -1.245 . . . . 25.0 107.943 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.09 -49.45 72.2 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 118.817 -0.611 . . . . 25.0 112.477 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.68 -32.51 70.56 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.812 0.733 . . . . 25.0 110.698 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.5 -45.25 93.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.886 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.43 -42.1 92.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.745 . . . . 25.0 110.081 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.3 mt -63.17 -29.92 71.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.267 0.556 . . . . 25.0 110.698 -174.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.8 m -74.47 -21.8 59.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.362 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.64 -17.2 31.66 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-O 121.144 0.302 . . . . 25.0 112.971 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 46.3 t0 -64.84 115.27 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 25.0 111.652 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.72 -36.46 82.52 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.851 -0.426 . . . . 25.0 109.851 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.68 -50.63 73.12 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.841 -0.537 . . . . 25.0 111.285 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.1 ptmt -67.71 -36.77 81.24 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.45 -50.75 66.3 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -63.6 -39.65 94.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.197 0.523 . . . . 25.0 110.95 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -49.6 65.77 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.2 -29.45 45.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 21' ' ' PRO . 3.7 tp -58.11 -43.9 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 122.152 -0.342 . . . . 25.0 110.382 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.35 -42.76 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.909 -0.404 . . . . 25.0 109.909 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.98 -43.08 86.3 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.714 0.769 . . . . 25.0 109.331 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -69.5 -38.24 77.53 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.827 -0.624 . . . . 25.0 111.58 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -64.74 -36.45 84.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.566 0.621 . . . . 25.0 110.797 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -62.79 -38.14 89.49 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.684 -0.406 . . . . 25.0 110.641 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -78.21 -40.05 38.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.399 0.619 . . . . 25.0 111.015 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -59.36 -45.79 90.44 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.154 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.77 -34.44 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -68.65 -46.85 68.07 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.059 0.457 . . . . 25.0 110.516 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -72.25 -29.42 63.89 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 122.015 0.912 . . . . 25.0 110.617 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -70.8 -26.66 63.42 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.519 -0.764 . . . . 25.0 112.08 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -53.83 -44.95 70.68 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 120.402 -0.519 . . . . 25.0 112.093 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.1 -31.23 61.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.828 -0.545 . . . . 25.0 110.848 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -64.95 -49.65 69.5 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.2 pt -62.85 -18.69 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 113.692 0.997 . . . . 25.0 113.692 -173.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -75.27 -9.78 58.87 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.446 0.535 . . . . 25.0 112.446 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.3 tt -140.38 -46.6 0.42 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -100.84 162.04 13.18 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 123.098 0.559 . . . . 25.0 111.994 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -97.25 -169.23 1.82 Allowed 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 172.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.54 42.07 0.97 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.667 -0.697 . . . . 25.0 109.795 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.02 114.81 4.07 Favored Pre-proline 0 C--O 1.238 0.493 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 -174.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -76.33 163.28 32.65 Favored 'Trans proline' 0 C--N 1.347 0.474 0 N-CA-C 113.518 0.546 . . . . 25.0 113.518 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -107.63 17.39 22.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.625 0.726 . . . . 25.0 109.923 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -83.52 51.34 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.294 -0.866 . . . . 25.0 108.693 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.34 -37.51 83.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.695 -0.684 . . . . 25.0 109.915 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -80.84 -46.21 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.005 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 44.61 40.8 4.32 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.188 1.181 . . . . 25.0 114.188 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -87.9 152.01 22.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 25.0 110.889 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -146.97 156.24 42.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.726 -1.583 . . . . 25.0 106.726 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -85.26 155.54 21.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.099 0.476 . . . . 25.0 111.688 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.8 mt -128.85 108.85 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 172.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -140.39 167.81 21.28 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 106.687 -1.598 . . . . 25.0 106.687 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.77 126.1 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -175.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -126.92 93.95 3.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.1 pt -106.84 23.74 2.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.582 -1.19 . . . . 25.0 110.877 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -111.59 21.68 15.87 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.299 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.488 1.432 0 C-N-CA 126.266 1.827 . . . . 25.0 112.72 -178.707 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.398 0 CA-C-O 123.974 1.845 . . . . 25.0 114.129 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.06 157.59 43.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 106.313 -1.736 . . . . 25.0 106.313 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -105.81 -27.55 11.18 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m 49.2 36.87 9.91 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.726 1.38 . . . . 25.0 114.726 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -76.7 147.11 37.62 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.608 -0.515 . . . . 25.0 109.608 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -144.84 149.62 35.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.8 m -146.85 74.72 12.15 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.58 164.99 31.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 118.044 -0.838 . . . . 25.0 112.192 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.77 -20.05 0.89 Allowed Glycine 0 C--O 1.226 -0.369 0 CA-C-N 115.285 -0.87 . . . . 25.0 114.028 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -82.14 28.49 0.44 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -77.57 10.65 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 124.022 0.929 . . . . 25.0 112.293 179.623 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 p -78.75 84.17 4.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.941 0.876 . . . . 25.0 111.106 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -162.28 -162.46 0.82 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 105.082 -2.192 . . . . 25.0 105.082 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.8 p -112.9 62.47 0.73 Allowed Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 111.762 0.282 . . . . 25.0 111.762 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -69.71 -16.22 37.68 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 116.283 -2.012 . . . . 25.0 113.249 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -76.96 15.65 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.77 28.61 73.48 Favored Glycine 0 N--CA 1.458 0.125 0 N-CA-C 115.529 0.972 . . . . 25.0 115.529 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.08 -30.91 69.33 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.344 1.069 . . . . 25.0 109.208 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -85.55 -27.07 25.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 113.495 -1.684 . . . . 25.0 111.718 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -125.09 78.97 66.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.066 0.46 . . . . 25.0 111.811 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.667 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.8 Cg_endo -60.37 -28.58 87.05 Favored 'Trans proline' 0 C--O 1.216 -0.61 0 N-CA-C 113.377 0.491 . . . . 25.0 113.377 176.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.01 95.47 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.955 -0.298 . . . . 25.0 110.581 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -77.83 -34.48 51.92 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.673 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -66.1 -41.33 90.77 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.419 -0.513 . . . . 25.0 110.242 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -59.17 -42.86 91.78 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -45.53 86.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.79 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.89 -48.25 82.47 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.033 0.444 . . . . 25.0 110.292 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 34' ' ' GLU . 37.5 mt -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.55 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.26 -34.71 78.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.808 0.337 . . . . 25.0 110.518 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.01 -8.19 59.59 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -119.38 99.29 50.27 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.28 -24.71 57.77 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 N-CA-C 115.345 1.248 . . . . 25.0 115.345 -176.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -76.49 -42.65 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.618 0.723 . . . . 25.0 110.788 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB3' HD23 ' A' ' 28' ' ' LEU . 7.6 mm-40 -72.14 -37.94 69.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 25.0 109.466 -174.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -29.33 68.7 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.969 -0.457 . . . . 25.0 110.221 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -73.29 -45.93 52.68 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.678 0.391 . . . . 25.0 111.089 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -63.8 -29.92 71.07 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.087 -1.008 . . . . 25.0 110.318 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.67 -43.43 80.22 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 114.59 -1.186 . . . . 25.0 112.619 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -70.37 -28.22 64.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 119.677 -0.809 . . . . 25.0 111.217 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -72.87 -52.03 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.032 0.444 . . . . 25.0 111.116 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -90.39 -25.97 20.13 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.159 1.911 . . . . 25.0 116.159 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -136.87 68.72 58.24 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 113.411 0.893 . . . . 25.0 113.411 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.29 -35.37 91.22 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.604 2.502 . . . . 25.0 118.604 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.86 -28.86 29.27 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.411 -4.593 . . . . 25.0 115.681 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -75.68 -34.4 60.43 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.205 . . . . 25.0 108.174 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.9 78.55 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 112.917 0.71 . . . . 25.0 112.917 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.8 -31.39 69.65 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.952 0.797 . . . . 25.0 111.045 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.441 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.48 -38.7 91.93 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.616 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.1 tp -68.17 -42.51 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.172 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.82 -27.97 69.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 25.0 111.154 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 m -75.22 -20.44 59.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.727 -0.669 . . . . 25.0 112.21 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.5 -29.34 4.47 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-O 121.192 0.329 . . . . 25.0 112.601 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -55.21 102.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.729 1.212 . . . . 25.0 112.103 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.28 -35.35 77.08 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.2 -44.98 88.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.361 0.504 . . . . 25.0 112.361 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -76.74 -31.91 57.43 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 119.05 0.841 . . . . 25.0 110.299 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.434 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 82.6 t80 -60.31 -51.72 68.33 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.301 176.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -63.3 -38.97 93.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.867 0.365 . . . . 25.0 111.556 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -61.01 -49.03 79.07 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 110.368 -0.234 . . . . 25.0 110.368 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.92 -34.31 63.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 121.488 -0.757 . . . . 25.0 108.968 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.3 tp -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.086 -0.384 . . . . 25.0 111.186 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -74.4 -35.05 38.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 C-N-CA 120.436 -0.506 . . . . 25.0 111.199 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.37 -42.1 98.16 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.54 -0.725 . . . . 25.0 109.896 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -64.28 -40.43 95.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -65.92 -36.89 84.61 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.519 -0.472 . . . . 25.0 111.391 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -63.59 -43.05 98.08 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.118 -0.364 . . . . 25.0 110.571 177.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.2 -40.0 86.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.314 0.578 . . . . 25.0 110.402 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -61.16 -40.43 93.83 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.932 -0.48 . . . . 25.0 110.136 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.99 -31.95 72.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.089 0.471 . . . . 25.0 111.499 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -29.93 64.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.305 -0.872 . . . . 25.0 109.74 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -75.09 -35.62 61.77 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -61.4 -30.56 70.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.892 -0.595 . . . . 25.0 111.978 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -57.79 -37.4 73.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.247 -0.283 . . . . 25.0 111.4 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -75.21 -28.9 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.177 0.513 . . . . 25.0 110.957 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -68.82 -44.07 74.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.41 -0.806 . . . . 25.0 111.97 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.6 pt -71.97 -15.66 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 121.155 0.502 . . . . 25.0 111.338 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -65.27 -16.2 63.31 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.128 0.571 . . . . 25.0 112.265 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.7 tp 65.94 -52.76 0.39 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.212 1.805 . . . . 25.0 115.514 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -77.14 131.57 38.38 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.4 m 58.55 27.89 16.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.19 52.42 2.19 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.319 0.581 . . . . 25.0 110.476 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.31 136.7 95.76 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.322 -0.399 . . . . 25.0 109.989 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -77.84 159.43 31.17 Favored 'Trans proline' 0 C--N 1.347 0.467 0 N-CA-C 115.443 1.286 . . . . 25.0 115.443 -172.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -128.39 11.81 6.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.903 -1.044 . . . . 25.0 108.719 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -147.77 113.05 5.56 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.758 -2.312 . . . . 25.0 104.758 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -34.16 61.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -86.0 -41.44 14.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.809 -0.356 . . . . 25.0 110.883 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 55.19 26.39 8.34 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.102 0.961 . . . . 25.0 113.456 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -133.64 150.2 51.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.08 129.26 9.67 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -137.56 155.29 49.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.2 mt -139.74 127.28 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 103.682 -2.711 . . . . 25.0 103.682 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -140.74 161.89 36.72 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.108 -1.071 . . . . 25.0 108.108 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -130.86 158.25 40.7 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -120.42 83.85 2.13 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 98' ' ' GLN . 10.5 pt -80.76 1.33 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 122.126 0.965 . . . . 25.0 111.698 174.651 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 49.22 27.15 1.73 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 113.361 -1.745 . . . . 25.0 112.181 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.41 ' H ' HG13 ' A' ' 96' ' ' ILE . 28.1 tt0 . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 126.536 3.065 . . . . 25.0 109.999 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.53 3.57 0 CA-C-O 122.632 1.206 . . . . 25.0 112.67 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -143.35 146.3 33.41 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -168.05 -56.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.534 0.521 . . . . 25.0 111.413 177.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 t 64.0 176.66 0.17 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.081 0.953 . . . . 25.0 110.967 -173.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -162.04 146.75 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.661 -1.237 . . . . 25.0 107.661 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -83.01 132.73 35.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.747 -1.575 . . . . 25.0 106.747 174.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.1 t -147.83 137.28 12.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 117.961 0.346 . . . . 25.0 111.479 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.16 174.33 11.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 117.318 -1.321 . . . . 25.0 109.787 171.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.23 -25.71 0.07 OUTLIER Glycine 0 C--O 1.221 -0.691 0 C-N-CA 120.041 -1.076 . . . . 25.0 114.566 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' A' ' 12' ' ' THR . 0.7 OUTLIER 59.66 22.03 10.75 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.233 1.198 . . . . 25.0 114.233 -179.708 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.34 17.93 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 114.432 -1.258 . . . . 25.0 110.51 173.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 10' ' ' GLU . 37.3 p -68.7 -18.14 64.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.927 -1.033 . . . . 25.0 110.209 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -92.15 108.05 19.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 25.0 110.145 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 m -115.55 70.38 3.22 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.851 -0.613 . . . . 25.0 112.308 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.02 -23.06 40.77 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 116.775 -1.684 . . . . 25.0 113.969 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -59.99 -32.48 70.88 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.454 -0.339 . . . . 25.0 110.942 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.91 -27.23 26.92 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.257 -0.973 . . . . 25.0 113.119 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.76 -42.42 41.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.253 0.549 . . . . 25.0 111.413 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -87.7 -30.15 20.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.011 -0.995 . . . . 25.0 110.555 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -117.49 86.43 22.71 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.302 -0.863 . . . . 25.0 109.859 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.6 Cg_endo -60.62 -22.71 73.59 Favored 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 112.471 0.143 . . . . 25.0 112.471 177.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.47 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.245 -0.279 . . . . 25.0 110.245 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.17 -41.05 67.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 25.0 110.661 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 61' ' ' LEU . 10.8 tp -65.97 -40.26 91.1 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.362 -0.535 . . . . 25.0 110.669 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.94 -44.04 91.33 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.71 -45.59 82.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.004 0.43 . . . . 25.0 111.39 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.9 ttp -62.11 -40.7 96.77 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 121.0 0.428 . . . . 25.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.8 -43.66 95.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.951 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -64.45 -35.92 82.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 25.0 109.875 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.54 -14.57 59.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -110.28 99.02 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.936 0.398 . . . . 25.0 112.023 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.9 -23.97 54.13 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 115.086 1.149 . . . . 25.0 115.086 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -76.93 -44.42 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.266 0.555 . . . . 25.0 111.183 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.64 -41.41 72.19 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -28.75 70.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.631 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -75.15 -44.04 49.05 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.984 0.514 . . . . 25.0 111.016 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.8 -30.04 68.52 Favored 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 121.843 0.83 . . . . 25.0 109.185 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.4 tp -65.17 -45.26 85.63 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.703 -1.135 . . . . 25.0 111.543 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.1 -26.07 63.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 119.854 -0.738 . . . . 25.0 112.072 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.79 -52.14 12.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.208 0.528 . . . . 25.0 111.252 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -95.04 -21.35 18.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.179 1.918 . . . . 25.0 116.179 -171.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -135.88 65.6 59.92 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -55.75 -34.82 92.13 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 118.528 2.472 . . . . 25.0 118.528 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.04 -31.75 29.64 Favored 'Trans proline' 0 C--N 1.362 1.28 1 C-N-CA 112.722 -4.385 . . . . 25.0 115.467 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -76.0 -34.7 59.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 120.876 -1.14 . . . . 25.0 108.53 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.51 77.16 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.56 -31.42 70.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.749 0.704 . . . . 25.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.96 -40.05 94.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.48 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.12 -41.84 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.408 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.19 -28.18 69.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.096 0.474 . . . . 25.0 111.044 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -75.93 -19.69 58.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.445 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.38 -30.92 3.93 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 122.183 -0.323 . . . . 25.0 113.413 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -55.81 104.6 0.14 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.432 1.093 . . . . 25.0 112.54 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.43 -33.32 73.52 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.48 -52.51 61.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.081 0.467 . . . . 25.0 111.587 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.78 -34.02 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.401 -0.52 . . . . 25.0 110.626 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.69 -50.5 73.6 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.771 -0.372 . . . . 25.0 110.397 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.2 t -62.27 -44.83 95.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.9 -46.06 88.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.07 -0.394 . . . . 25.0 110.699 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.6 t -72.11 -32.48 43.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -57.99 -45.03 87.43 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 122.229 -0.294 . . . . 25.0 110.343 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.01 -42.92 89.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 25.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -62.67 -39.51 94.14 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.697 -0.627 . . . . 25.0 110.82 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -67.28 -39.68 86.06 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 122.132 -0.355 . . . . 25.0 110.349 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -60.69 -40.83 93.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.327 0.512 . . . . 25.0 110.486 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -61.28 -43.95 98.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.24 -0.184 . . . . 25.0 110.64 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -74.44 -40.31 62.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.512 0.672 . . . . 25.0 111.722 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -64.29 -36.53 84.4 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.592 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -30.96 63.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.949 0.34 . . . . 25.0 111.685 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -65.8 -48.32 72.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.948 0.404 . . . . 25.0 110.849 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -81.17 -26.88 35.67 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.04 -29.59 70.5 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.188 -172.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -53.08 -42.99 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.334 0.396 . . . . 25.0 111.823 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -74.91 -32.81 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.402 0.62 . . . . 25.0 110.785 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -71.27 -42.14 69.14 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.8 pt -78.76 -14.59 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.811 0.339 . . . . 25.0 111.379 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -38.26 68.57 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.263 -177.144 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.76 155.84 30.54 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 54.74 -145.96 0.59 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.804 0.842 . . . . 25.0 111.346 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.6 m 57.29 24.44 9.96 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.22 37.33 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.51 -0.768 . . . . 25.0 110.233 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -117.84 92.51 41.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -86.24 154.43 9.5 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.668 -1.088 . . . . 25.0 113.063 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -123.82 4.19 8.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.851 1.31 . . . . 25.0 108.125 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.59 43.42 1.11 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 113.517 -1.674 . . . . 25.0 108.94 -176.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.92 -24.7 66.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.223 -0.899 . . . . 25.0 110.882 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.8 -18.8 46.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.993 -1.003 . . . . 25.0 112.791 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.77 38.57 0.26 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 -171.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.45 127.04 29.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.53 0.681 . . . . 25.0 109.902 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.45 138.93 49.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.293 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -152.61 156.48 39.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.4 mt -132.27 115.6 26.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 102.681 -3.081 . . . . 25.0 102.681 171.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -125.09 146.48 49.44 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.281 -1.378 . . . . 25.0 107.281 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.64 150.6 34.71 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -175.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -151.73 48.58 0.8 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 pt 41.39 36.62 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.639 1.576 . . . . 25.0 114.155 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -89.23 52.61 2.42 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 122.743 1.258 . . . . 25.0 110.141 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 . . . . . 0 C--O 1.21 -1.008 0 CA-C-O 125.141 2.4 . . . . 25.0 111.647 179.033 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 123.87 1.795 . . . . 25.0 113.907 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -99.12 134.85 41.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 113.835 -1.53 . . . . 25.0 110.927 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -134.05 167.01 21.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.461 -2.422 . . . . 25.0 104.461 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -35.26 73.03 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.183 1.179 . . . . 25.0 114.183 -176.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 45.96 38.67 4.79 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -81.56 157.9 24.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 25.0 109.99 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.7 m -140.96 134.6 14.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.538 -0.542 . . . . 25.0 109.538 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -78.84 168.86 20.34 Favored 'Trans proline' 0 C--N 1.349 0.594 0 CA-C-O 121.222 0.426 . . . . 25.0 112.678 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.45 16.98 4.54 Favored Glycine 0 C--O 1.218 -0.895 0 CA-C-O 122.001 0.779 . . . . 25.0 112.385 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -106.16 29.39 6.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.188 0.995 . . . . 25.0 108.841 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.26 15.7 mm -87.51 6.63 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 CA-C-O 123.408 1.575 . . . . 25.0 109.241 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.9 p -77.75 86.06 4.03 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.187 -1.369 . . . . 25.0 112.493 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.1 t -159.77 163.73 34.38 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 m -117.35 56.33 1.88 Allowed Pre-proline 0 N--CA 1.469 0.503 0 N-CA-C 113.587 0.958 . . . . 25.0 113.587 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.71 -37.9 3.57 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 114.856 -2.962 . . . . 25.0 116.013 -173.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -81.46 36.79 0.44 Allowed 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 113.669 0.989 . . . . 25.0 113.669 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.69 29.37 69.83 Favored Glycine 0 C--O 1.225 -0.436 0 N-CA-C 115.54 0.976 . . . . 25.0 115.54 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.32 -26.72 65.76 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.184 0.992 . . . . 25.0 111.657 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -96.83 -2.69 43.56 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.899 0.857 . . . . 25.0 109.362 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.07 74.54 79.55 Favored Pre-proline 0 N--CA 1.444 -0.764 0 CA-C-N 115.817 -0.629 . . . . 25.0 111.694 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.545 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.4 Cg_endo -58.48 -31.1 93.53 Favored 'Trans proline' 0 C--O 1.213 -0.754 0 O-C-N 121.851 0.395 . . . . 25.0 112.626 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.49 89.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.486 0.184 . . . . 25.0 110.938 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.46 -40.09 67.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.861 0.362 . . . . 25.0 110.647 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.28 -40.35 90.01 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.814 -0.355 . . . . 25.0 110.882 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.14 -44.47 92.06 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -43.88 92.79 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.919 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.5 ttp -62.59 -43.83 97.84 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.75 0.31 . . . . 25.0 110.963 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.64 -42.3 98.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.778 0.323 . . . . 25.0 111.725 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.44 -35.76 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.061 0.458 . . . . 25.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -11.78 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.52 102.11 54.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 O-C-N 121.888 -0.507 . . . . 25.0 112.24 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -65.92 -25.67 52.2 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 115.245 1.21 . . . . 25.0 115.245 -176.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -76.09 -41.71 49.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.68 -0.638 . . . . 25.0 110.333 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.96 67.61 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.812 -0.811 . . . . 25.0 108.812 -174.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -30.33 71.52 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.42 -0.8 . . . . 25.0 111.045 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -74.73 -41.39 60.23 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 122.812 0.445 . . . . 25.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.77 -33.84 76.52 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 108.126 -1.065 . . . . 25.0 108.126 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.94 -43.9 91.23 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.894 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.43 -28.37 67.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.891 -0.724 . . . . 25.0 111.639 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -77.04 -51.88 10.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.201 0.524 . . . . 25.0 112.021 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.69 -34.32 46.23 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.187 1.18 . . . . 25.0 114.187 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -139.88 70.46 36.16 Favored Pre-proline 0 N--CA 1.474 0.734 0 N-CA-C 114.448 1.277 . . . . 25.0 114.448 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.41 -37.03 89.29 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 N-CA-C 118.451 2.443 . . . . 25.0 118.451 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.24 -28.37 23.01 Favored 'Trans proline' 0 C--N 1.36 1.152 1 C-N-CA 112.588 -4.474 . . . . 25.0 116.081 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.42 -32.4 60.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.633 -1.292 . . . . 25.0 107.838 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.93 -49.45 70.36 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-O 118.849 -0.596 . . . . 25.0 112.456 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.2 -31.92 70.61 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.14 0.882 . . . . 25.0 110.936 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.458 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.49 -44.69 93.62 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.859 -0.609 . . . . 25.0 111.515 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.26 -42.57 93.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.424 -0.807 . . . . 25.0 110.381 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.9 mt -62.33 -30.7 71.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.489 0.662 . . . . 25.0 110.716 -174.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.43 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 50.8 m -75.46 -22.58 57.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.389 -0.823 . . . . 25.0 112.528 -178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.15 -17.27 38.52 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 116.71 -0.223 . . . . 25.0 113.542 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.03 116.94 6.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.861 0.362 . . . . 25.0 111.201 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.25 -36.73 82.22 Favored 'General case' 0 C--O 1.21 -0.981 0 C-N-CA 120.415 -0.514 . . . . 25.0 109.808 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.7 -53.09 62.32 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.882 -0.511 . . . . 25.0 111.137 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.0 ptmt -63.88 -37.74 88.5 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.624 -0.703 . . . . 25.0 109.296 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -64.8 -50.49 66.56 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.8 t -62.08 -39.87 93.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.422 0.629 . . . . 25.0 111.509 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.4 -47.2 74.05 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.101 -0.5 . . . . 25.0 109.758 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.84 -30.6 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.644 -0.872 . . . . 25.0 108.644 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.6 tp -58.25 -47.87 82.18 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.102 -0.374 . . . . 25.0 111.824 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.06 -35.29 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.134 -0.626 . . . . 25.0 110.673 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.14 -40.9 98.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.679 0.752 . . . . 25.0 109.169 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -68.24 -36.99 80.33 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.816 -0.629 . . . . 25.0 111.606 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -65.8 -39.84 91.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.531 0.605 . . . . 25.0 110.742 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -62.5 -43.29 99.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.059 0.457 . . . . 25.0 109.972 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.31 -40.44 74.2 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.294 -0.562 . . . . 25.0 110.98 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -58.83 -37.9 77.47 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 122.007 -0.433 . . . . 25.0 110.971 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.33 -32.13 70.95 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.723 0.297 . . . . 25.0 111.667 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -76.72 -29.75 56.36 Favored 'General case' 0 N--CA 1.44 -0.963 0 O-C-N 121.65 -0.656 . . . . 25.0 109.442 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.9 -29.96 58.61 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.121 0.486 . . . . 25.0 109.741 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -57.37 -34.11 68.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.328 -0.851 . . . . 25.0 110.298 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -59.69 -39.96 86.3 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 121.213 0.53 . . . . 25.0 111.017 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -80.2 -31.17 38.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.117 0.784 . . . . 25.0 113.117 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -60.88 -23.53 65.26 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.3 pt -59.89 -18.78 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 112.307 0.484 . . . . 25.0 112.307 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -68.66 -9.87 52.76 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.283 0.475 . . . . 25.0 112.283 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? 67.53 128.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.943 2.097 . . . . 25.0 115.187 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -141.95 148.17 38.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.054 -1.832 . . . . 25.0 106.054 -175.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.8 m -81.09 87.19 6.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.107 0.479 . . . . 25.0 110.563 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.55 36.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.254 -1.758 . . . . 25.0 106.254 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.93 140.65 97.9 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 114.104 -1.407 . . . . 25.0 113.688 -170.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -80.27 164.14 21.97 Favored 'Trans proline' 0 C--N 1.349 0.584 0 N-CA-C 113.375 0.491 . . . . 25.0 113.375 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -135.19 8.44 3.44 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.64 1.21 . . . . 25.0 109.083 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.31 40.84 0.79 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 113.748 -1.569 . . . . 25.0 112.789 -169.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.34 -27.99 68.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.181 0.515 . . . . 25.0 112.119 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -80.78 -10.99 59.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.22 45.13 0.53 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.953 0.901 . . . . 25.0 112.356 -174.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -96.85 125.24 41.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.787 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.81 169.0 13.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.625 -0.716 . . . . 25.0 110.849 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -127.38 154.05 45.48 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.9 mt -132.03 117.98 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 105.293 -2.114 . . . . 25.0 105.293 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -136.52 147.58 47.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -133.29 155.96 48.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.979 0.363 . . . . 25.0 111.979 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -139.34 55.53 1.68 Allowed 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 172.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.9 mt -84.35 58.67 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -83.9 42.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.46 1.124 . . . . 25.0 111.146 -177.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 125.707 2.67 . . . . 25.0 110.759 -179.193 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 114.92 1.452 . . . . 25.0 114.92 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -154.6 176.29 12.58 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -126.31 164.48 20.93 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.911 -1.514 . . . . 25.0 106.911 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 m -142.46 153.8 43.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 51.44 43.73 29.39 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 122.222 1.011 . . . . 25.0 111.283 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -134.84 166.94 21.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.439 -2.06 . . . . 25.0 105.439 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.1 p -141.06 155.4 68.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.445 -0.206 . . . . 25.0 110.445 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -75.15 173.28 14.79 Favored 'Trans proline' 0 C--N 1.348 0.522 0 O-C-N 122.067 0.509 . . . . 25.0 111.238 176.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.5 -63.82 0.24 Allowed Glycine 0 C--O 1.22 -0.746 0 N-CA-C 111.493 -0.643 . . . . 25.0 111.493 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 53.35 30.41 10.22 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.722 0.772 . . . . 25.0 111.883 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.408 ' H ' HG13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -68.56 5.86 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 C-N-CA 125.003 1.321 . . . . 25.0 114.439 -178.178 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 t -75.83 -21.08 57.65 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 173.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -89.94 130.93 36.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.877 -1.527 . . . . 25.0 106.877 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.2 p -144.17 60.65 8.19 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.387 -0.369 . . . . 25.0 111.957 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.24 -34.09 28.7 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 115.907 -2.262 . . . . 25.0 113.782 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -77.1 -14.44 59.81 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 121.875 -0.516 . . . . 25.0 109.867 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.64 -17.8 79.26 Favored Glycine 0 C--O 1.226 -0.385 0 N-CA-C 111.321 -0.711 . . . . 25.0 111.321 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.44 -35.84 68.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -83.44 -29.38 28.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.035 0.922 . . . . 25.0 109.714 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -113.87 81.29 5.8 Favored Pre-proline 0 C--O 1.241 0.631 0 CA-C-N 115.387 -0.824 . . . . 25.0 112.753 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.544 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.5 Cg_endo -60.84 -31.08 91.32 Favored 'Trans proline' 0 C--O 1.216 -0.578 0 C-N-CA 118.614 -0.457 . . . . 25.0 112.187 174.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.95 99.31 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.265 -0.272 . . . . 25.0 111.578 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -77.67 -37.75 49.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.271 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.3 tp -66.89 -41.12 87.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.161 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -54.48 -45.55 73.23 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.684 -0.488 . . . . 25.0 109.684 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.08 -42.66 84.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.024 0.44 . . . . 25.0 111.767 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.31 -49.01 79.29 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.512 0.672 . . . . 25.0 110.302 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.99 -42.1 97.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.137 -0.938 . . . . 25.0 112.065 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.76 -36.49 84.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.145 0.498 . . . . 25.0 110.394 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.38 -10.24 59.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.043 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -115.87 96.32 46.47 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.35 -25.36 64.01 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 N-CA-C 115.218 1.199 . . . . 25.0 115.218 -176.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.06 -42.28 48.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.465 0.65 . . . . 25.0 110.673 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.75 -40.85 69.08 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -30.22 71.3 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.056 -0.402 . . . . 25.0 110.813 178.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 t -72.73 -44.03 62.19 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 122.53 0.332 . . . . 25.0 110.958 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.96 -30.11 70.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 122.035 0.922 . . . . 25.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -67.15 -43.02 83.36 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.897 -1.047 . . . . 25.0 112.219 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.09 -27.16 65.35 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 119.869 -0.733 . . . . 25.0 111.774 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -74.87 -51.85 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.993 0.425 . . . . 25.0 111.449 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -87.56 -26.46 23.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.487 1.662 . . . . 25.0 115.487 -174.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -139.16 67.32 39.84 Favored Pre-proline 0 N--CA 1.474 0.735 0 N-CA-C 113.24 0.83 . . . . 25.0 113.24 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.61 -35.85 87.7 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.366 2.41 . . . . 25.0 118.366 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -69.61 -30.0 23.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 112.105 -4.796 . . . . 25.0 115.842 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -75.46 -32.43 60.62 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.756 -1.215 . . . . 25.0 108.006 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.76 79.68 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.68 -31.45 70.7 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.277 0.944 . . . . 25.0 110.671 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.514 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -61.2 -44.16 97.73 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 115.54 -0.754 . . . . 25.0 111.091 174.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.41 -40.88 89.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.768 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.83 -28.82 70.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.233 0.54 . . . . 25.0 111.162 -175.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.1 m -76.45 -22.89 54.01 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.953 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -21.62 23.08 Favored Glycine 0 C--O 1.236 0.241 0 CA-C-N 116.526 -0.307 . . . . 25.0 112.757 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.9 t0 -62.8 116.98 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 122.761 0.424 . . . . 25.0 112.0 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.46 -37.39 82.87 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -51.16 70.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.577 -0.449 . . . . 25.0 109.934 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.8 ptmt -65.23 -36.38 83.98 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.133 -0.627 . . . . 25.0 110.615 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 77.6 t80 -61.54 -50.75 71.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 118.535 0.607 . . . . 25.0 111.264 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -63.74 -43.86 95.22 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 122.555 0.342 . . . . 25.0 111.423 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.29 -44.09 95.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.087 -0.383 . . . . 25.0 110.664 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.44 -34.25 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.2 tp -58.67 -41.44 86.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.993 -0.442 . . . . 25.0 109.887 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.0 t -68.96 -44.02 81.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 110.282 -0.266 . . . . 25.0 110.282 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.66 -42.15 87.77 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.679 -0.638 . . . . 25.0 110.876 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -66.58 -39.38 88.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.593 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.16 -37.32 64.04 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.124 0.488 . . . . 25.0 110.427 -177.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -61.58 -41.51 97.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.519 -0.764 . . . . 25.0 111.524 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -59.11 -43.3 91.9 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.705 0.764 . . . . 25.0 110.739 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -67.38 -37.76 83.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.766 -0.652 . . . . 25.0 110.669 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.29 -31.7 70.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.507 0.188 . . . . 25.0 111.507 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.44 -38.6 90.34 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.145 0.497 . . . . 25.0 110.999 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -75.75 -27.52 58.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.85 0.833 . . . . 25.0 108.987 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.01 -25.96 62.03 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.715 -1.13 . . . . 25.0 112.093 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -54.16 -39.36 66.48 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.911 0.386 . . . . 25.0 110.53 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -68.93 -31.24 69.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.96 0.41 . . . . 25.0 111.058 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -72.01 -46.1 58.46 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.86 -0.525 . . . . 25.0 111.869 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.8 pt -70.76 -18.77 21.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-O 120.947 0.403 . . . . 25.0 111.055 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -61.69 -20.13 63.12 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.964 -0.46 . . . . 25.0 111.31 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.26 -47.83 10.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 174.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -138.41 132.76 31.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.046 -0.524 . . . . 25.0 112.122 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m 58.61 52.98 6.38 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 116.891 2.182 . . . . 25.0 116.891 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.11 40.23 0.75 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 170.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -69.95 145.83 94.6 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -80.88 176.43 8.98 Favored 'Trans proline' 0 C--N 1.349 0.586 0 N-CA-C 113.787 0.649 . . . . 25.0 113.787 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -112.52 37.87 2.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 105.0 -2.222 . . . . 25.0 105.0 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.0 t0 63.48 103.41 0.03 OUTLIER 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 113.287 -1.779 . . . . 25.0 113.505 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -58.38 -31.48 67.69 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 115.172 1.545 . . . . 25.0 115.172 -176.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -30.98 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.921 0.867 . . . . 25.0 111.419 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.26 -14.74 60.96 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.559 -1.201 . . . . 25.0 113.387 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -96.59 105.66 17.79 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 123.169 1.461 . . . . 25.0 112.285 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.11 9.23 23.37 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.556 -2.111 . . . . 25.0 110.636 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.1 tttp 66.83 179.03 0.22 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 112.726 -2.034 . . . . 25.0 109.311 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.8 mt -114.7 97.17 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -128.74 166.61 18.64 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.399 -1.334 . . . . 25.0 107.399 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -128.58 124.61 36.33 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -82.22 45.03 0.9 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.956 -0.566 . . . . 25.0 111.122 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.1 mt 50.74 58.9 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-O 122.104 0.954 . . . . 25.0 109.529 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -71.76 43.41 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.758 1.762 . . . . 25.0 115.758 -175.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 . . . . . 0 C--O 1.211 -0.945 0 CA-C-O 125.05 2.357 . . . . 25.0 110.586 174.496 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -83.69 -47.63 11.01 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.872 -0.604 . . . . 25.0 111.04 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 56.72 -155.77 0.31 Allowed 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.043 0.84 . . . . 25.0 109.291 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -77.27 138.42 39.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -156.45 -179.0 7.75 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 63.22 -167.33 0.21 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.7 m -77.54 138.02 63.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.641 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.79 140.83 23.78 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 116.689 -1.741 . . . . 25.0 111.543 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.26 -3.77 12.72 Favored Glycine 0 C--O 1.22 -0.748 0 CA-C-N 114.703 -1.135 . . . . 25.0 113.808 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 53.29 31.29 11.5 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 122.101 0.953 . . . . 25.0 112.17 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.5 mt -70.65 -3.74 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-O 123.566 1.651 . . . . 25.0 110.215 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.2 p -63.06 -23.05 67.27 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 113.192 -1.822 . . . . 25.0 110.186 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 m -82.01 113.1 19.67 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 p 42.72 60.36 10.16 Favored Pre-proline 0 N--CA 1.48 1.061 0 N-CA-C 115.298 1.592 . . . . 25.0 115.298 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.84 -30.54 68.19 Favored 'Trans proline' 0 C--N 1.35 0.655 0 N-CA-C 117.764 2.178 . . . . 25.0 117.764 -171.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.6 4.5 15.75 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.851 -0.531 . . . . 25.0 112.049 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.96 29.82 58.43 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.397 -0.906 . . . . 25.0 111.235 -176.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.27 -27.4 68.61 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -175.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -103.05 3.31 35.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.404 1.097 . . . . 25.0 108.86 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -129.24 69.53 81.18 Favored Pre-proline 0 N--CA 1.445 -0.723 0 CA-C-N 115.471 -0.786 . . . . 25.0 112.069 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.534 ' HB3' HD22 ' A' ' 61' ' ' LEU . 37.7 Cg_endo -60.83 -30.35 89.96 Favored 'Trans proline' 0 C--O 1.213 -0.751 0 O-C-N 121.783 0.359 . . . . 25.0 111.689 175.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.378 -0.201 . . . . 25.0 111.293 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.03 -38.76 43.9 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.188 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.23 -39.35 89.51 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 120.831 -0.348 . . . . 25.0 110.705 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -56.52 -45.59 81.04 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.43 -44.12 79.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.466 . . . . 25.0 111.622 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -59.27 -49.4 77.99 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.243 0.544 . . . . 25.0 110.281 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 34' ' ' GLU . 9.6 mt -58.83 -43.58 90.68 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.117 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.27 -34.69 78.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.74 -0.384 . . . . 25.0 110.935 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.91 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.201 -0.454 . . . . 25.0 112.097 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -108.54 101.33 42.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.45 -25.74 48.17 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 N-CA-C 115.667 1.372 . . . . 25.0 115.667 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -76.13 -44.55 37.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.547 0.689 . . . . 25.0 109.884 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HB3' HD23 ' A' ' 28' ' ' LEU . 7.6 mm-40 -70.04 -39.13 75.93 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 -174.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.35 70.39 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.829 -0.544 . . . . 25.0 111.091 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.7 -42.45 58.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.764 0.426 . . . . 25.0 111.702 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.14 -31.25 70.69 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.91 0.862 . . . . 25.0 109.299 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.2 -44.98 82.35 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 115.092 -0.958 . . . . 25.0 111.865 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -69.99 -26.07 63.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 119.891 -0.724 . . . . 25.0 112.365 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.6 -51.84 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.513 . . . . 25.0 110.52 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -95.91 -26.23 15.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 116.338 1.977 . . . . 25.0 116.338 -170.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -134.95 68.28 70.65 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.13 -35.9 91.77 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 N-CA-C 118.249 2.365 . . . . 25.0 118.249 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.1 -30.01 26.07 Favored 'Trans proline' 0 C--N 1.362 1.276 1 C-N-CA 112.237 -4.709 . . . . 25.0 115.821 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.51 -34.84 60.85 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 120.887 -1.133 . . . . 25.0 107.962 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.36 75.13 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.47 -31.49 71.46 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.054 0.843 . . . . 25.0 110.99 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.02 -40.56 96.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.32 175.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.19 -42.67 83.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.476 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.02 -28.75 70.01 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.084 0.469 . . . . 25.0 111.074 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -75.72 -18.23 59.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.449 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.44 -30.95 3.95 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 113.949 0.34 . . . . 25.0 113.949 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.5 110.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.918 0.866 . . . . 25.0 112.592 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.17 -37.29 86.93 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.92 -43.37 91.1 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.969 -0.692 . . . . 25.0 111.997 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 20.0 ptmt -73.43 -36.32 65.92 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.653 -0.654 . . . . 25.0 110.15 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.88 -51.46 69.63 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.463 -0.495 . . . . 25.0 109.989 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -62.49 -40.52 96.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.778 0.658 . . . . 25.0 112.778 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -46.81 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.94 -0.475 . . . . 25.0 110.034 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.3 t -70.79 -33.17 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.5 tp -55.29 -43.73 75.07 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.057 -0.402 . . . . 25.0 110.199 177.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.1 t -68.76 -43.23 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 122.158 -0.338 . . . . 25.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -60.35 -42.16 95.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.213 0.53 . . . . 25.0 110.598 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -66.42 -39.29 88.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.199 -0.455 . . . . 25.0 110.343 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -63.51 -38.91 92.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.694 -0.402 . . . . 25.0 111.08 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -63.25 -39.58 95.02 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.492 -0.483 . . . . 25.0 111.201 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -77.07 -41.81 40.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.439 0.638 . . . . 25.0 112.398 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -34.81 77.05 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 121.776 -0.577 . . . . 25.0 111.004 -176.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.78 -32.85 66.06 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.791 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -65.16 -43.59 91.29 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 121.851 -0.531 . . . . 25.0 110.984 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -71.4 -33.62 69.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.995 0.426 . . . . 25.0 110.376 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -60.51 -34.08 73.56 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.908 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -57.53 -34.62 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.104 0.478 . . . . 25.0 111.009 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.95 -36.09 42.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.147 -0.346 . . . . 25.0 111.921 174.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -70.43 -35.43 73.38 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.754 1.02 . . . . 25.0 113.754 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.5 pt -65.71 -13.91 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -59.3 -18.18 35.55 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 111.987 0.365 . . . . 25.0 111.987 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.2 tp -96.2 -121.22 0.11 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 107.589 -1.263 . . . . 25.0 107.589 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -147.5 157.86 43.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.6 m -150.29 133.96 16.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 104.693 -2.336 . . . . 25.0 104.693 172.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.21 35.95 0.14 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.324 0.583 . . . . 25.0 109.877 -174.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.55 146.34 97.66 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.516 -0.765 . . . . 25.0 110.951 -174.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.44 163.03 32.75 Favored 'Trans proline' 0 C--N 1.349 0.599 0 N-CA-C 114.258 0.83 . . . . 25.0 114.258 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -133.43 35.08 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.724 0.773 . . . . 25.0 109.478 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.12 51.77 2.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.969 0.89 . . . . 25.0 110.89 -172.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 98.3 mt -72.64 -21.34 61.11 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -66.88 -22.9 65.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.452 -0.794 . . . . 25.0 111.329 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.38 5.69 19.55 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -79.32 152.73 30.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.671 0.748 . . . . 25.0 111.805 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.0 139.64 52.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.531 0.681 . . . . 25.0 111.761 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -89.64 169.87 10.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.046 -0.979 . . . . 25.0 109.227 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.9 mt -132.97 130.89 58.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 103.434 -2.802 . . . . 25.0 103.434 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -122.74 161.66 23.51 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 106.987 -1.486 . . . . 25.0 106.987 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -120.1 146.8 45.59 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.37 0.507 . . . . 25.0 112.37 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -125.78 78.78 1.77 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 122.009 0.909 . . . . 25.0 109.421 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.3 pt -87.53 29.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.655 -0.702 . . . . 25.0 111.042 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -82.6 1.54 37.67 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.504 1.145 . . . . 25.0 112.021 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 . . . . . 0 C--O 1.21 -0.995 0 CA-C-O 125.09 2.376 . . . . 25.0 111.959 179.436 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.529 3.498 0 CA-C-O 122.63 1.205 . . . . 25.0 113.206 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -134.14 139.46 45.91 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -152.01 73.4 1.05 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.039 0.447 . . . . 25.0 111.481 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.8 p -121.29 138.76 54.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.377 0.608 . . . . 25.0 111.313 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -166.91 136.63 2.97 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 105.644 -1.984 . . . . 25.0 105.644 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -157.14 -178.43 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.1 m -148.35 160.67 36.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 106.539 -1.652 . . . . 25.0 106.539 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.05 174.68 12.38 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 117.776 -1.016 . . . . 25.0 111.846 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.59 -67.73 0.02 OUTLIER Glycine 0 C--O 1.219 -0.792 0 N-CA-C 111.476 -0.65 . . . . 25.0 111.476 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 58.7 29.46 18.64 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.033 0.921 . . . . 25.0 113.26 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.1 mt -81.08 -1.97 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.019 0 CA-C-O 123.725 1.726 . . . . 25.0 109.913 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 p -124.95 134.02 52.8 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.655 -1.611 . . . . 25.0 111.186 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.1 p -76.22 169.99 17.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -121.93 78.16 40.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.932 0.396 . . . . 25.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.01 -6.43 15.96 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.363 2.042 . . . . 25.0 114.271 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -70.85 46.21 0.09 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.312 -1.313 . . . . 25.0 113.01 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.16 -8.17 64.75 Favored Glycine 0 C--O 1.225 -0.455 0 N-CA-C 115.975 1.15 . . . . 25.0 115.975 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HA ' HD21 ' A' ' 61' ' ' LEU . 33.1 mt -87.74 -36.4 17.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.218 1.009 . . . . 25.0 109.944 -177.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -25.53 65.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.947 -1.024 . . . . 25.0 108.6 172.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -124.14 76.34 59.76 Favored Pre-proline 0 C--O 1.241 0.625 0 CA-C-N 115.288 -0.869 . . . . 25.0 112.164 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.695 ' HB3' HD22 ' A' ' 61' ' ' LEU . 37.2 Cg_endo -60.85 -28.06 85.8 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 O-C-N 121.827 0.383 . . . . 25.0 112.77 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.32 93.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 111.379 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.5 mt -76.88 -39.34 51.34 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 110.112 -0.329 . . . . 25.0 110.112 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.85 -39.85 87.72 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.672 -0.411 . . . . 25.0 110.518 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -56.79 -46.19 81.7 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 109.273 -0.64 . . . . 25.0 109.273 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.3 -46.78 82.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.47 -0.332 . . . . 25.0 111.821 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.79 -41.3 97.56 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.715 0.293 . . . . 25.0 111.612 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.62 -42.48 95.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.628 -0.26 . . . . 25.0 111.059 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -63.89 -36.64 84.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.126 0.488 . . . . 25.0 110.121 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.38 -11.95 59.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.772 -0.649 . . . . 25.0 112.63 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 34' ' ' GLU . 24.5 t-20 -116.4 101.86 53.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 112.724 0.638 . . . . 25.0 112.724 -174.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.9 -26.5 51.68 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 N-CA-C 115.669 1.373 . . . . 25.0 115.669 -176.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -76.12 -42.03 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.712 0.768 . . . . 25.0 110.815 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 40.6 mm-40 -71.57 -37.35 71.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.383 -0.826 . . . . 25.0 109.358 -175.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -28.88 67.25 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.759 -0.588 . . . . 25.0 110.327 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -74.0 -44.34 54.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.207 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.42 -31.5 72.63 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 122.163 0.982 . . . . 25.0 109.102 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.7 tp -66.72 -45.99 76.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.13 -26.18 63.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 120.227 -0.589 . . . . 25.0 112.203 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -73.69 -51.85 15.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.205 0.526 . . . . 25.0 110.744 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -98.25 -24.12 15.38 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.711 1.745 . . . . 25.0 115.711 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -134.76 65.91 67.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -54.66 -34.5 83.81 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 N-CA-C 118.821 2.585 . . . . 25.0 118.821 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.77 -34.08 25.51 Favored 'Trans proline' 0 C--N 1.362 1.268 1 C-N-CA 112.794 -4.338 . . . . 25.0 115.332 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -75.46 -32.76 60.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -62.24 -50.12 72.99 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.34 -32.21 69.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.108 0.867 . . . . 25.0 110.686 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -62.76 -44.47 96.11 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.94 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.64 -42.77 81.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.652 -0.703 . . . . 25.0 110.782 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.0 mt -62.98 -30.49 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.315 0.579 . . . . 25.0 110.938 -173.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.95 -22.95 60.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.617 -0.719 . . . . 25.0 112.329 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.56 -22.06 18.81 Favored Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.509 -0.314 . . . . 25.0 112.702 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.46 117.25 5.03 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.927 0.491 . . . . 25.0 112.006 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.36 -37.99 84.08 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.405 -0.518 . . . . 25.0 109.921 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.72 -52.57 64.93 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.673 -0.411 . . . . 25.0 110.374 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.4 ptmt -64.95 -34.98 79.72 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 120.499 -0.48 . . . . 25.0 110.16 178.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.509 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 77.3 t80 -63.86 -51.43 64.65 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 118.258 0.481 . . . . 25.0 111.311 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -64.99 -38.55 91.34 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 122.688 0.395 . . . . 25.0 111.886 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -62.84 -46.38 88.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.887 0.375 . . . . 25.0 110.356 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.68 -34.31 51.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.4 tp -58.37 -45.09 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.034 -0.416 . . . . 25.0 111.235 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 p -72.17 -37.48 59.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.841 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.52 -38.92 91.82 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.5 -0.75 . . . . 25.0 111.015 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -60.89 -43.56 98.32 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -66.55 -36.13 81.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -62.25 -37.55 85.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.978 0.418 . . . . 25.0 110.698 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.07 -37.16 61.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.435 0.636 . . . . 25.0 111.23 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -63.02 -37.48 87.36 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 116.001 -0.545 . . . . 25.0 110.406 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.2 -30.89 60.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -70.83 -49.68 43.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 25.0 111.638 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -78.53 -26.4 45.76 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -30.78 71.04 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 111.68 0.252 . . . . 25.0 111.68 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -58.17 -40.18 80.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.058 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.19 -35.85 61.49 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.909 -0.494 . . . . 25.0 110.394 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.31 -41.28 96.92 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.659 0.614 . . . . 25.0 112.659 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.8 pt -69.43 -21.8 25.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.161 -0.616 . . . . 25.0 110.028 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.27 -23.0 32.87 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.21 0.819 . . . . 25.0 113.21 177.37 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.38 -49.69 72.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.486 0.491 . . . . 25.0 110.699 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -68.2 104.0 1.71 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.767 0.794 . . . . 25.0 112.301 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -124.72 39.34 4.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.739 -1.119 . . . . 25.0 109.924 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 58.74 37.52 25.05 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 122.141 0.972 . . . . 25.0 109.568 -174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -109.87 166.63 10.42 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 113.882 -1.508 . . . . 25.0 107.397 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -71.68 161.21 45.92 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 116.259 -2.028 . . . . 25.0 111.916 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -88.24 13.92 10.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.42 0.628 . . . . 25.0 112.483 -175.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -84.23 52.49 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.366 -0.834 . . . . 25.0 109.034 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.75 -34.87 76.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 25.0 112.042 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.8 -40.76 15.69 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.628 0.232 . . . . 25.0 111.628 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 47.68 28.1 1.19 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -94.79 154.85 17.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.149 0.5 . . . . 25.0 111.867 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.93 137.09 47.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 105.916 -1.883 . . . . 25.0 105.916 172.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -146.81 166.79 25.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.9 mt -127.58 126.15 66.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 103.316 -2.846 . . . . 25.0 103.316 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -129.52 161.26 30.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 105.656 -1.979 . . . . 25.0 105.656 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -135.61 144.5 46.15 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -149.83 80.07 1.38 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.058 -1.83 . . . . 25.0 106.058 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.3 mt -79.04 55.79 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 122.466 1.127 . . . . 25.0 109.761 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -85.28 4.43 34.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.262 1.03 . . . . 25.0 112.961 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 C--O 1.212 -0.87 0 CA-C-O 124.798 2.237 . . . . 25.0 111.158 -179.637 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 124.277 1.989 . . . . 25.0 113.525 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -72.61 100.25 2.74 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 113.342 -1.754 . . . . 25.0 110.493 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -76.48 -10.9 59.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.266 -0.424 . . . . 25.0 111.769 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 t 58.42 19.58 6.59 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.624 0.77 . . . . 25.0 113.034 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -83.6 120.6 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.774 -0.825 . . . . 25.0 108.774 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -92.58 7.03 45.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.252 0.548 . . . . 25.0 109.979 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.8 m -66.6 137.51 95.17 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.906 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.21 155.51 56.27 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 115.567 -2.489 . . . . 25.0 109.345 173.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.58 -15.2 60.13 Favored Glycine 0 C--N 1.315 -0.59 0 CA-C-N 115.171 -0.922 . . . . 25.0 114.216 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -74.87 24.42 0.09 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.48 4.81 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.418 -2.036 0 C-N-CA 125.014 1.326 . . . . 25.0 111.299 178.177 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -83.06 -13.86 54.93 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.545 -1.661 . . . . 25.0 109.798 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.6 m -130.86 171.61 12.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.359 -0.837 . . . . 25.0 109.169 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.0 m -115.44 63.86 1.95 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -70.46 -17.73 34.2 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 116.828 -1.648 . . . . 25.0 113.239 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.22 -1.89 7.04 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.69 34.82 21.22 Favored Glycine 0 C--O 1.218 -0.874 0 C-N-CA 118.97 -1.585 . . . . 25.0 112.912 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.2 mt -65.79 -32.56 74.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -78.46 -25.87 46.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.755 -1.111 . . . . 25.0 110.231 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -119.85 76.08 20.96 Favored Pre-proline 0 C--O 1.241 0.647 0 CA-C-N 115.325 -0.852 . . . . 25.0 113.288 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.605 ' HB3' HD22 ' A' ' 61' ' ' LEU . 32.7 Cg_endo -59.76 -28.88 88.3 Favored 'Trans proline' 0 C--O 1.218 -0.479 0 O-C-N 121.615 0.271 . . . . 25.0 112.044 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.45 98.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.94 -40.22 40.25 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.234 0.334 . . . . 25.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.03 -42.52 94.26 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.925 -0.31 . . . . 25.0 111.095 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.01 -44.74 83.87 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.218 -0.447 . . . . 25.0 111.463 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.09 -41.13 97.88 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.697 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.99 -44.26 93.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.475 -0.329 . . . . 25.0 111.826 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.3 -34.81 78.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.106 0.479 . . . . 25.0 109.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.28 -12.18 59.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.608 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.32 99.64 52.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.36 0.504 . . . . 25.0 112.36 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.11 -25.61 58.29 Favored 'Trans proline' 0 C--N 1.345 0.374 0 N-CA-C 115.368 1.257 . . . . 25.0 115.368 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -75.98 -42.4 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.724 -0.61 . . . . 25.0 110.925 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.65 -38.0 65.12 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -30.28 71.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.932 -0.48 . . . . 25.0 110.735 177.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.8 -42.84 57.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 25.0 110.84 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -33.19 75.28 Favored 'General case' 0 CA--C 1.483 -1.612 0 CA-C-O 121.667 0.746 . . . . 25.0 109.026 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.75 -44.76 84.97 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.734 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -68.37 -28.8 67.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 119.647 -0.821 . . . . 25.0 111.78 175.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -74.22 -51.84 14.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.539 0.685 . . . . 25.0 111.397 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -86.84 -28.93 22.6 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.755 1.391 . . . . 25.0 114.755 -174.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -137.4 68.2 53.87 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.46 -36.42 88.0 Favored 'Trans proline' 0 CA--C 1.553 1.453 0 N-CA-C 118.153 2.328 . . . . 25.0 118.153 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.24 -28.98 27.1 Favored 'Trans proline' 0 C--N 1.361 1.194 1 C-N-CA 112.765 -4.357 . . . . 25.0 116.222 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -75.46 -33.96 60.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.564 -1.335 . . . . 25.0 108.206 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.18 76.39 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 113.102 0.778 . . . . 25.0 113.102 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.12 -31.59 69.07 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.962 0.801 . . . . 25.0 111.094 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.68 91.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.008 0.432 . . . . 25.0 110.965 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.54 -40.84 89.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 25.0 109.919 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.78 -31.43 72.66 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.228 0.537 . . . . 25.0 110.668 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -74.26 -21.94 59.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.594 -0.73 . . . . 25.0 111.832 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.37 4.74 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 121.664 -0.303 . . . . 25.0 113.259 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 108.39 0.47 Allowed 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.894 1.33 . . . . 25.0 112.65 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.41 -32.3 73.1 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 114.76 -1.109 . . . . 25.0 108.627 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.0 -47.36 77.91 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.358 -0.537 . . . . 25.0 112.13 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -74.44 -34.33 63.16 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -61.93 -51.47 68.01 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 120.873 -0.331 . . . . 25.0 110.75 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -62.0 -39.21 91.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.896 0.379 . . . . 25.0 111.976 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -66.48 -49.7 65.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 25.0 110.053 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -70.08 -30.25 43.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -58.25 -46.21 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.07 -0.394 . . . . 25.0 110.951 176.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.87 -36.23 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.289 -0.564 . . . . 25.0 111.246 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.87 -37.09 86.1 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.596 -0.69 . . . . 25.0 110.233 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -63.13 -38.79 92.58 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.865 -0.522 . . . . 25.0 110.453 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -69.47 -32.47 71.4 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.878 -0.514 . . . . 25.0 110.87 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.94 -38.99 90.05 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.936 -0.478 . . . . 25.0 109.768 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.69 -38.14 80.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.353 0.597 . . . . 25.0 111.001 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.4 -41.95 86.05 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.699 -0.682 . . . . 25.0 109.766 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.0 69.74 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -69.19 -49.65 54.64 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.917 -0.49 . . . . 25.0 110.373 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -74.35 -25.58 59.61 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.349 0.595 . . . . 25.0 112.169 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -53.44 -34.45 57.89 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.714 -0.675 . . . . 25.0 111.675 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -58.3 -35.66 72.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.247 0.546 . . . . 25.0 111.014 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -79.82 -36.18 37.27 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -65.5 -29.72 70.4 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.3 pt -62.56 -18.83 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 117.876 0.307 . . . . 25.0 111.76 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -50.5 -32.77 19.16 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 173.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.3 tp 62.38 -54.06 0.15 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 117.536 2.421 . . . . 25.0 117.536 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -74.92 145.57 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.078 -0.389 . . . . 25.0 110.815 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.6 m 60.36 43.97 12.82 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.145 0.903 . . . . 25.0 111.421 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -139.71 29.77 2.11 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.83 156.25 92.08 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 114.144 -1.389 . . . . 25.0 112.121 -175.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -75.79 162.46 35.06 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 120.344 0.696 . . . . 25.0 113.631 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -122.1 8.88 9.83 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.025 0.917 . . . . 25.0 113.44 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -96.81 48.19 1.06 Allowed 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 105.658 -1.978 . . . . 25.0 105.658 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.31 -29.53 70.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.094 -0.957 . . . . 25.0 111.615 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -80.95 -36.48 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.365 -0.38 . . . . 25.0 110.375 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 36.2 55.66 1.04 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.826 1.25 . . . . 25.0 113.096 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -73.95 172.71 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.171 -0.922 . . . . 25.0 111.804 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.11 8.86 5.07 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.439 2.014 . . . . 25.0 116.439 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -78.4 154.2 30.9 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.301 -1.772 . . . . 25.0 106.708 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.4 mt -135.52 119.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.147 -1.797 . . . . 25.0 106.147 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -107.12 160.32 15.65 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.8 156.38 41.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -163.25 57.63 0.19 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.175 -0.921 . . . . 25.0 110.737 175.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 pt -104.07 23.3 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -82.39 29.86 0.42 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.08 -0.964 . . . . 25.0 113.384 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 CA--C 1.552 1.041 0 CA-C-O 124.927 2.299 . . . . 25.0 113.143 175.652 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 114.717 1.377 . . . . 25.0 114.717 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -139.36 113.75 9.01 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -151.46 146.22 25.77 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 p -83.87 140.8 31.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.249 -1.019 . . . . 25.0 108.249 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -121.05 -36.01 3.21 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.804 0.335 . . . . 25.0 111.482 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.48 140.86 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 178.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.7 m -154.29 156.21 31.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 106.553 -1.647 . . . . 25.0 106.553 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.07 165.24 31.61 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 117.376 -1.282 . . . . 25.0 111.045 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.7 20.99 1.48 Allowed Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.625 -0.716 . . . . 25.0 113.618 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -91.18 26.6 2.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.363 1.078 . . . . 25.0 110.485 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.6 mt -73.04 4.14 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.752 1.621 . . . . 25.0 111.814 -177.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 p -64.2 141.96 58.58 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.851 -1.068 . . . . 25.0 112.504 -177.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -76.25 108.5 9.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.291 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 t -129.42 76.95 78.15 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.033 -0.531 . . . . 25.0 112.183 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.57 -6.92 18.92 Favored 'Trans proline' 0 C--N 1.348 0.521 0 CA-C-O 121.151 0.396 . . . . 25.0 113.079 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 70.5 -42.89 0.54 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.512 1.925 . . . . 25.0 113.294 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.0 15.86 7.87 Favored Glycine 0 C--O 1.223 -0.559 0 O-C-N 122.099 -0.376 . . . . 25.0 112.94 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -62.39 -37.43 85.74 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 174.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -84.15 -31.59 25.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.52 1.153 . . . . 25.0 108.44 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.65 86.97 13.57 Favored Pre-proline 0 C--O 1.242 0.668 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -177.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.9 Cg_endo -62.15 -24.06 76.03 Favored 'Trans proline' 0 C--O 1.215 -0.658 0 C-N-CA 118.352 -0.632 . . . . 25.0 113.064 176.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.99 97.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.229 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.49 -40.38 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 25.0 110.492 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 61' ' ' LEU . 1.6 tp -64.53 -39.51 93.9 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.51 -0.476 . . . . 25.0 110.546 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -58.86 -43.94 90.92 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 176.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.87 -45.82 80.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.832 0.349 . . . . 25.0 111.367 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.6 ttp -59.77 -45.61 91.75 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.923 0.392 . . . . 25.0 110.866 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -62.61 -44.43 96.32 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.867 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -65.11 -33.87 77.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.923 0.392 . . . . 25.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.5 -12.11 59.88 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -114.86 99.94 52.76 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-O 120.868 0.366 . . . . 25.0 111.837 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.53 -25.67 55.07 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 115.414 1.275 . . . . 25.0 115.414 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -76.13 -43.15 44.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.386 0.613 . . . . 25.0 110.797 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.25 -38.27 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -30.27 70.46 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.955 -0.466 . . . . 25.0 110.66 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.65 -43.04 57.31 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.549 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.84 -31.58 72.29 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-O 121.868 0.842 . . . . 25.0 109.243 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.35 -46.44 76.76 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.918 -1.037 . . . . 25.0 111.775 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.56 -26.2 64.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 120.074 -0.651 . . . . 25.0 112.201 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.68 -51.88 17.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 25.0 110.69 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -101.65 -20.81 14.86 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 117.4 2.37 . . . . 25.0 117.4 -170.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -133.16 64.95 72.14 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -55.33 -33.53 85.54 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 N-CA-C 118.335 2.398 . . . . 25.0 118.335 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.85 -32.32 29.64 Favored 'Trans proline' 0 C--N 1.364 1.354 1 C-N-CA 112.344 -4.637 . . . . 25.0 115.236 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -75.52 -36.05 60.61 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 121.008 -1.057 . . . . 25.0 108.337 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -49.41 76.69 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.13 -31.47 70.09 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.889 0.768 . . . . 25.0 110.999 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.453 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -65.4 -38.39 89.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.805 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.0 -42.96 75.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.219 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.38 -31.18 72.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.255 0.55 . . . . 25.0 111.182 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -23.18 63.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.416 -0.811 . . . . 25.0 111.871 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.95 -28.14 4.66 Favored Glycine 0 N--CA 1.46 0.275 0 CA-C-O 121.405 0.447 . . . . 25.0 111.987 -177.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -57.67 101.79 0.08 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.776 1.23 . . . . 25.0 111.908 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.13 -35.41 80.18 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.492 -0.755 . . . . 25.0 110.602 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.02 70.16 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.43 -0.508 . . . . 25.0 111.15 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.4 ptmt -83.29 -36.69 24.29 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.73 -0.388 . . . . 25.0 110.189 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.439 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 86.8 t80 -58.3 -48.4 80.63 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.645 -0.422 . . . . 25.0 110.418 176.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.6 t -65.32 -40.65 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -60.49 -45.7 92.8 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.909 0.385 . . . . 25.0 110.448 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -73.91 -33.23 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.7 tp -57.12 -46.61 82.49 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.978 -0.451 . . . . 25.0 111.265 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.97 -36.19 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.905 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -62.81 -43.06 99.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.553 0.692 . . . . 25.0 109.913 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -68.28 -33.91 75.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.048 -0.407 . . . . 25.0 110.887 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -67.66 -37.06 81.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.124 0.42 . . . . 25.0 111.895 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -61.57 -42.39 98.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.41 -35.37 63.42 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.159 -0.616 . . . . 25.0 111.458 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -59.15 -39.3 81.99 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-O 119.1 -0.476 . . . . 25.0 110.157 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.35 -34.28 72.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.774 0.321 . . . . 25.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -70.13 -46.2 65.26 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -62.98 -35.67 80.93 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.312 0.577 . . . . 25.0 109.952 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.22 -34.61 75.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.543 -0.753 . . . . 25.0 112.699 -173.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -58.34 -41.3 84.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.465 0.65 . . . . 25.0 109.669 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -75.45 -35.03 60.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.378 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 mtp-105 -64.51 -42.28 95.91 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.6 pt -73.76 -18.77 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.949 0.404 . . . . 25.0 111.073 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -82.88 -16.18 48.54 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -93.3 170.05 9.92 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 177.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -114.73 148.12 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.44 150.92 35.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.019 -2.586 . . . . 25.0 104.019 177.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.43 40.56 0.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -177.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.17 142.34 97.76 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.211 -0.904 . . . . 25.0 111.423 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -76.59 161.48 34.02 Favored 'Trans proline' 0 C--N 1.347 0.47 0 N-CA-C 113.43 0.512 . . . . 25.0 113.43 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -107.93 -9.98 15.6 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 123.901 1.81 . . . . 25.0 109.926 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -102.09 53.16 0.81 Allowed 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 111.553 -2.567 . . . . 25.0 107.117 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.49 -39.03 86.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.657 -1.156 . . . . 25.0 109.96 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.95 -33.42 22.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.525 . . . . 25.0 111.309 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 49.25 30.18 3.0 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 114.497 1.295 . . . . 25.0 114.497 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -114.54 157.55 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 50.69 -156.68 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.631 1.345 . . . . 25.0 114.631 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -167.28 168.53 13.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.9 mt -124.51 117.72 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 103.688 -2.708 . . . . 25.0 103.688 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.31 158.32 16.17 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.193 -1.04 . . . . 25.0 108.193 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -120.8 129.36 53.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -136.66 69.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.434 1.112 . . . . 25.0 108.096 168.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.2 pt -77.82 21.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.908 -1.042 . . . . 25.0 112.359 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -83.96 42.27 0.85 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.888 0.851 . . . . 25.0 112.991 -174.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.484 1.244 0 C-N-CA 125.962 1.705 . . . . 25.0 114.799 178.081 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 114.788 1.403 . . . . 25.0 114.788 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -86.23 140.49 30.08 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 175.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.01 144.69 55.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.6 p -163.89 178.82 7.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.517 -2.031 . . . . 25.0 105.517 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -118.56 148.34 42.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -65.73 145.6 55.8 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.328 -0.249 . . . . 25.0 110.328 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.6 t -119.52 84.69 30.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.072 -0.344 . . . . 25.0 110.072 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -74.29 173.59 13.93 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 118.495 -0.537 . . . . 25.0 111.949 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 11' ' ' ILE . . . 95.5 27.8 10.27 Favored Glycine 0 C--O 1.225 -0.425 0 C-N-CA 121.034 -0.603 . . . . 25.0 112.799 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -77.74 29.36 0.16 Allowed 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.124 0.964 . . . . 25.0 112.604 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.412 ' H ' ' C ' ' A' ' 9' ' ' GLY . 6.1 mt -95.34 28.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 105.644 -1.984 . . . . 25.0 105.644 173.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -141.97 172.65 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.092 -0.958 . . . . 25.0 108.658 -173.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.5 m -68.9 170.47 9.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.096 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 p -107.28 76.42 0.49 Allowed Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.6 -26.22 33.84 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 116.546 -1.836 . . . . 25.0 112.485 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -75.54 -14.57 60.41 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.967 -0.458 . . . . 25.0 109.952 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.95 -20.08 76.54 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 109.595 -1.402 . . . . 25.0 109.595 175.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.6 mt -77.48 -37.72 50.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -75.36 -34.37 61.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.377 1.084 . . . . 25.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -118.8 82.69 21.0 Favored Pre-proline 0 C--O 1.241 0.606 0 CA-C-N 114.975 -1.011 . . . . 25.0 111.373 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.727 ' HB3' HD22 ' A' ' 61' ' ' LEU . 24.7 Cg_endo -59.37 -25.9 80.03 Favored 'Trans proline' 0 C--O 1.216 -0.618 0 O-C-N 121.704 0.318 . . . . 25.0 112.555 175.118 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.23 91.24 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.379 -0.201 . . . . 25.0 111.231 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.99 -39.23 43.0 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 123.619 0.574 . . . . 25.0 110.725 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.15 -40.06 90.29 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.573 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -43.64 84.29 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 176.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.49 -46.99 77.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.826 -0.624 . . . . 25.0 111.445 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.26 -44.73 95.04 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 121.002 0.429 . . . . 25.0 111.019 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.3 -43.04 99.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.989 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -65.01 -35.14 80.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.729 -0.389 . . . . 25.0 110.432 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 -9.4 59.84 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.459 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -116.93 100.39 53.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.74 -0.6 . . . . 25.0 111.7 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.95 -25.27 59.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 N-CA-C 114.986 1.11 . . . . 25.0 114.986 -176.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -76.01 -45.62 33.61 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.877 -0.514 . . . . 25.0 109.742 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -38.64 81.06 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -30.46 70.33 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 121.517 -0.739 . . . . 25.0 111.643 178.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -35.08 56.8 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.671 0.389 . . . . 25.0 111.561 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -73.63 -33.8 64.7 Favored 'General case' 0 CA--C 1.48 -1.716 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -63.53 -42.73 98.4 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.752 -0.658 . . . . 25.0 112.75 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -66.33 -25.99 67.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 119.915 -0.714 . . . . 25.0 112.312 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -80.74 -51.86 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.018 0.437 . . . . 25.0 111.084 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -76.29 -35.46 58.85 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 -177.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.403 HD21 ' CD ' ' A' ' 64' ' ' GLN . 34.7 t-20 -140.18 70.67 34.21 Favored Pre-proline 0 C--O 1.242 0.703 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 -176.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.3 -37.69 88.52 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 117.992 2.266 . . . . 25.0 117.992 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.2 -28.92 27.38 Favored 'Trans proline' 0 C--N 1.36 1.158 1 C-N-CA 112.536 -4.509 . . . . 25.0 116.286 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -71.55 -36.98 71.15 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.465 -1.397 . . . . 25.0 107.853 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.11 78.42 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 115.258 -0.883 . . . . 25.0 112.702 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.32 -31.45 71.3 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.344 0.974 . . . . 25.0 111.092 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.95 -39.67 93.85 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.402 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.84 -42.57 85.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.546 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.08 -27.31 69.31 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.122 0.487 . . . . 25.0 111.138 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 m -74.85 -21.79 59.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.263 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.51 -27.48 6.35 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.554 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -58.42 102.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.372 1.069 . . . . 25.0 111.808 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.97 -35.19 77.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.911 -0.716 . . . . 25.0 112.132 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.32 -33.91 65.4 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.729 0.695 . . . . 25.0 110.477 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.73 -51.01 71.6 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.527 -0.469 . . . . 25.0 109.918 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -63.91 -39.91 95.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -61.27 -43.95 98.03 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 121.323 0.582 . . . . 25.0 110.408 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.03 -35.85 42.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.5 tp -59.85 -45.31 92.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.724 -0.216 . . . . 25.0 110.733 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.9 -34.52 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 121.954 -0.466 . . . . 25.0 110.838 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -62.21 -46.41 89.03 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.829 -0.544 . . . . 25.0 110.162 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.403 ' CD ' HD21 ' A' ' 42' ' ' ASN . 22.1 mt-30 -63.79 -30.18 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.636 -0.665 . . . . 25.0 112.502 175.284 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.05 -33.88 68.32 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.282 -0.567 . . . . 25.0 111.746 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -68.1 -37.65 81.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 173.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.66 -35.7 73.0 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.9 ptt-85 -63.08 -40.23 97.06 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 108.451 -0.944 . . . . 25.0 108.451 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.44 68.33 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.429 0.455 . . . . 25.0 112.176 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtm-85 -67.15 -47.55 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.022 0.439 . . . . 25.0 111.117 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -79.21 -26.34 42.58 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.249 0.833 . . . . 25.0 113.249 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -57.12 -30.86 64.74 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -57.48 -36.71 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.89 0.376 . . . . 25.0 110.981 176.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -79.87 -38.11 33.38 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.971 -0.456 . . . . 25.0 111.946 172.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -60.5 -30.65 69.85 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.723 1.379 . . . . 25.0 114.723 -175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.7 pt -64.83 -18.76 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -69.62 -11.53 60.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.531 0.333 . . . . 25.0 111.313 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? 68.57 130.91 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.626 1.97 . . . . 25.0 115.807 171.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -140.4 -175.53 4.3 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.619 -1.623 . . . . 25.0 106.619 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 m -35.42 106.27 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.612 1.565 . . . . 25.0 113.474 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.37 54.54 2.57 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.487 -1.688 . . . . 25.0 109.351 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -68.52 154.94 93.79 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 114.224 -1.353 . . . . 25.0 110.543 -176.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -70.84 164.13 36.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 N-CA-C 113.332 0.474 . . . . 25.0 113.332 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -113.79 14.03 18.59 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.84 -0.618 . . . . 25.0 109.423 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.6 t0 69.9 114.72 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.471 1.508 . . . . 25.0 114.669 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 pp -75.4 -22.2 57.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.358 -1.292 . . . . 25.0 112.303 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -77.78 -21.05 52.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.01 0.434 . . . . 25.0 110.555 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.49 29.83 0.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.803 0.841 . . . . 25.0 112.495 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -89.65 163.87 14.96 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 116.168 1.914 . . . . 25.0 116.168 -174.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 60.94 -159.59 0.32 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.731 1.752 . . . . 25.0 115.731 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -146.17 -174.97 4.58 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 -170.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.4 mt -122.1 113.62 39.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -91.42 127.68 36.95 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.424 -0.353 . . . . 25.0 110.112 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -127.7 150.98 49.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.15 -1.055 . . . . 25.0 108.15 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -145.41 100.38 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.897 0.856 . . . . 25.0 109.134 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 pt -94.99 12.3 3.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.2 1.0 . . . . 25.0 112.266 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -88.6 63.03 6.79 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.992 -1.004 . . . . 25.0 109.359 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 126.586 3.089 . . . . 25.0 110.459 -177.427 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 124.091 1.901 . . . . 25.0 113.939 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -135.37 151.86 50.88 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 113.513 -1.676 . . . . 25.0 107.864 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -150.74 149.36 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.1 t -162.46 150.4 14.21 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.366 -1.346 . . . . 25.0 107.366 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -137.51 -48.47 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m 59.83 -174.32 0.11 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.807 1.04 . . . . 25.0 113.807 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 p -143.66 75.95 16.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.66 170.0 21.13 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 118.454 -0.564 . . . . 25.0 112.359 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.74 28.85 13.62 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-N 115.91 -0.586 . . . . 25.0 114.009 -173.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.79 49.74 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.084 0.945 . . . . 25.0 112.098 -174.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 mm -77.34 4.32 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 CA-C-O 122.875 1.321 . . . . 25.0 110.261 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.1 p -123.96 145.26 49.29 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 105.842 -1.91 . . . . 25.0 105.842 176.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 t -142.93 148.71 37.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.349 0.595 . . . . 25.0 111.888 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.64 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 36.3 m -158.99 -46.87 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 124.538 1.135 . . . . 25.0 112.407 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.64 ' HD2' ' H ' ' A' ' 14' ' ' SER . 59.4 Cg_endo -66.46 -9.49 24.28 Favored 'Trans proline' 0 C--N 1.368 1.566 0 N-CA-C 116.072 1.528 . . . . 25.0 116.072 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -57.77 -14.76 6.35 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.939 -1.028 . . . . 25.0 111.652 171.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.64 13.37 63.09 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 121.436 -0.411 . . . . 25.0 112.749 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -64.85 -31.97 73.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.643 0.608 . . . . 25.0 112.643 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -85.23 -30.33 23.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.41 0.624 . . . . 25.0 110.283 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -116.66 78.39 8.85 Favored Pre-proline 0 N--CA 1.445 -0.691 0 N-CA-C 116.637 2.088 . . . . 25.0 116.637 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HB3' HD22 ' A' ' 61' ' ' LEU . 31.4 Cg_endo -60.88 -27.94 85.59 Favored 'Trans proline' 0 C--O 1.218 -0.524 0 N-CA-C 113.474 0.528 . . . . 25.0 113.474 174.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.3 93.09 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.876 -0.329 . . . . 25.0 110.364 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.91 -37.07 56.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 25.0 110.788 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.48 -41.36 93.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.203 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -57.53 -45.07 85.47 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -43.24 88.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.94 0.4 . . . . 25.0 111.483 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -59.95 -49.29 78.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.259 0.552 . . . . 25.0 109.731 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.9 -44.01 94.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.992 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.66 -36.19 83.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 25.0 110.589 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.39 58.94 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.26 98.48 39.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.402 . . . . 25.0 111.864 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.5 -25.2 63.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 114.992 1.112 . . . . 25.0 114.992 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.07 -44.11 40.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.853 -0.529 . . . . 25.0 111.133 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.56 -39.71 70.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.52 71.64 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.747 -0.595 . . . . 25.0 111.111 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.4 p -76.46 -35.98 58.14 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.722 0.296 . . . . 25.0 111.576 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.56 -33.19 66.62 Favored 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.06 -44.5 95.64 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.978 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -69.51 -26.05 64.34 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 119.742 -0.783 . . . . 25.0 112.652 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -76.16 -50.79 13.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.403 0.621 . . . . 25.0 110.784 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -82.61 -36.12 26.41 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.925 1.454 . . . . 25.0 114.925 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -135.1 69.1 70.23 Favored Pre-proline 0 N--CA 1.472 0.656 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.05 -35.9 91.43 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.402 2.424 . . . . 25.0 118.402 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -69.69 -29.77 23.69 Favored 'Trans proline' 0 C--N 1.362 1.27 1 C-N-CA 112.336 -4.643 . . . . 25.0 115.941 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.5 tp -75.37 -33.54 61.06 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.842 -1.162 . . . . 25.0 108.046 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.13 77.42 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.857 -0.61 . . . . 25.0 112.457 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.89 -31.48 69.84 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.292 0.951 . . . . 25.0 110.999 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -60.79 -43.08 98.56 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.967 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.22 -43.99 76.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.08 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.14 -28.89 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.592 0.711 . . . . 25.0 110.524 -174.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.429 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . 7.9 t -74.03 -23.31 59.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.031 -0.986 . . . . 25.0 112.359 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.83 -18.37 39.85 Favored Glycine 0 CA--C 1.517 0.204 0 CA-C-O 121.258 0.365 . . . . 25.0 112.983 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -68.13 113.28 5.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 25.0 111.741 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.22 -36.23 83.5 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 109.273 -0.639 . . . . 25.0 109.273 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.79 -48.49 81.55 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.955 -0.465 . . . . 25.0 110.696 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 ptmt -67.63 -36.23 80.41 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.07 -0.652 . . . . 25.0 109.84 177.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.499 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 81.6 t80 -62.12 -50.31 72.41 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 118.304 0.502 . . . . 25.0 111.332 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -64.36 -40.76 96.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -63.84 -45.89 87.48 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.089 -0.382 . . . . 25.0 110.182 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.78 -32.78 56.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 21' ' ' PRO . 4.0 tp -56.23 -42.87 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.033 -0.417 . . . . 25.0 111.054 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.93 -44.71 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 122.176 -0.327 . . . . 25.0 110.4 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.23 -40.3 85.45 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.693 0.759 . . . . 25.0 110.354 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -68.33 -34.81 76.78 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.059 -0.519 . . . . 25.0 110.748 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -65.63 -31.81 73.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 118.224 0.466 . . . . 25.0 110.786 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -64.67 -44.26 90.92 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.81 0.732 . . . . 25.0 109.999 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.73 -40.11 88.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.526 0.679 . . . . 25.0 111.2 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -62.36 -42.44 99.41 Favored 'General case' 0 C--O 1.2 -1.528 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.42 64.2 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 118.286 0.494 . . . . 25.0 112.259 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -47.97 34.27 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.88 -0.513 . . . . 25.0 111.087 178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -85.89 -29.65 23.5 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 116.73 2.122 . . . . 25.0 116.73 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.43 -32.59 73.56 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 121.832 -0.543 . . . . 25.0 110.471 -174.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -59.09 -33.86 71.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.533 -0.303 . . . . 25.0 110.913 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -70.73 -34.88 72.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.905 0.383 . . . . 25.0 110.795 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.8 mtp-105 -71.33 -54.02 12.21 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.918 0.34 . . . . 25.0 111.918 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.8 pt -64.22 -17.45 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 122.743 0.417 . . . . 25.0 111.699 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -18.46 32.75 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.392 173.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.8 tp -128.73 -50.82 1.25 Allowed 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -144.05 156.78 44.51 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.691 0.282 . . . . 25.0 111.213 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.7 t -135.52 159.12 42.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 103.419 -2.808 . . . . 25.0 103.419 171.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.49 35.78 0.46 Allowed 'General case' 0 C--N 1.32 -0.689 0 O-C-N 123.733 0.645 . . . . 25.0 110.66 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.36 152.57 76.1 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 105.606 -1.998 . . . . 25.0 105.606 175.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.92 158.36 50.02 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 116.977 -1.549 . . . . 25.0 110.829 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -95.17 16.63 15.99 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -169.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.99 44.17 0.38 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.061 0.934 . . . . 25.0 111.897 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.3 mt -68.78 -28.84 67.14 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.84 -29.41 63.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.003 -0.999 . . . . 25.0 112.671 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.47 14.24 1.32 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -88.83 126.21 35.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.678 0.751 . . . . 25.0 112.162 -176.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -157.63 166.12 33.7 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -134.54 139.53 45.48 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.121 -1.066 . . . . 25.0 108.121 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.0 mt -138.01 131.13 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 103.473 -2.788 . . . . 25.0 103.473 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -127.44 167.47 16.2 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.383 -1.71 . . . . 25.0 106.383 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -130.22 151.64 50.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.713 1.005 . . . . 25.0 113.713 -174.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -140.68 56.24 1.58 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 173.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.1 pt -87.7 44.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 122.179 0.99 . . . . 25.0 109.385 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -82.29 14.79 2.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.723 -0.672 . . . . 25.0 112.151 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.482 1.171 0 C-N-CA 125.956 1.702 . . . . 25.0 114.762 175.927 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 123.32 1.533 . . . . 25.0 113.869 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 54.8 60.08 3.7 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 112.97 -1.923 . . . . 25.0 112.197 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -101.79 154.86 18.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.874 -0.603 . . . . 25.0 110.862 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -63.84 142.14 58.51 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.242 -0.435 . . . . 25.0 110.919 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -141.8 44.98 1.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -146.34 12.2 1.19 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -176.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.6 t -86.78 135.41 35.7 Favored Pre-proline 0 CA--C 1.539 0.545 0 O-C-N 122.16 -0.338 . . . . 25.0 110.747 -176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -81.61 54.67 5.21 Favored 'Trans proline' 0 C--N 1.349 0.593 0 N-CA-C 115.054 1.136 . . . . 25.0 115.054 -178.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.74 41.9 1.25 Allowed Glycine 0 C--N 1.312 -0.751 0 N-CA-C 116.873 1.509 . . . . 25.0 116.873 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.19 17.56 18.31 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.665 1.221 . . . . 25.0 112.397 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.61 28.73 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.419 -1.995 0 C-N-CA 126.604 1.962 . . . . 25.0 113.111 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.0 t -80.54 145.85 31.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.538 0.685 . . . . 25.0 110.273 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.6 p -85.35 164.44 17.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.504 -1.295 . . . . 25.0 107.504 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.8 m -116.79 58.51 1.94 Allowed Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -74.83 -12.08 21.85 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 117.936 -0.909 . . . . 25.0 113.405 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -72.37 27.39 0.05 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.74 -1.118 . . . . 25.0 114.003 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.8 17.08 66.87 Favored Glycine 0 C--O 1.223 -0.593 0 N-CA-C 114.831 0.692 . . . . 25.0 114.831 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.6 -36.26 73.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 25.0 110.658 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -75.96 -23.07 55.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.04 -0.982 . . . . 25.0 109.918 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -124.3 76.96 61.35 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.5 Cg_endo -59.14 -32.01 96.44 Favored 'Trans proline' 0 C--O 1.214 -0.714 0 O-C-N 121.738 0.336 . . . . 25.0 112.917 174.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.1 85.57 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 25.0 110.733 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.27 -38.22 71.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.3 tp -67.08 -39.69 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.541 -0.299 . . . . 25.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -59.85 -45.55 92.07 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -44.31 91.98 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.231 -0.895 . . . . 25.0 112.08 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.8 -44.96 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.858 0.361 . . . . 25.0 110.626 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.413 -0.358 . . . . 25.0 111.733 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.06 -36.97 83.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 25.0 110.119 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.22 -16.18 56.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.707 -0.678 . . . . 25.0 112.519 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -106.14 102.54 40.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -174.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.24 -27.44 48.43 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 N-CA-C 115.621 1.354 . . . . 25.0 115.621 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -75.93 -42.88 47.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.818 0.818 . . . . 25.0 111.014 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.59 -37.45 68.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.376 -0.829 . . . . 25.0 109.3 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.649 -0.657 . . . . 25.0 110.809 176.397 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.75 -40.11 61.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 25.0 111.63 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.15 -33.81 76.22 Favored 'General case' 0 CA--C 1.479 -1.765 0 CA-C-O 122.01 0.909 . . . . 25.0 108.845 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.87 -47.4 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.828 -1.078 . . . . 25.0 111.495 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.85 -26.19 64.09 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.843 0.682 . . . . 25.0 112.843 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -71.14 -51.69 23.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 25.0 110.277 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -101.01 -24.07 14.39 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 117.097 2.258 . . . . 25.0 117.097 -169.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -132.55 68.72 79.59 Favored Pre-proline 0 N--CA 1.477 0.884 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.54 -36.89 90.07 Favored 'Trans proline' 0 CA--C 1.551 1.331 0 N-CA-C 118.361 2.408 . . . . 25.0 118.361 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -69.56 -30.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 112.407 -4.595 . . . . 25.0 115.733 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -75.41 -31.21 60.33 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.801 -1.187 . . . . 25.0 108.354 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.42 69.61 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.614 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.39 69.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.678 0.672 . . . . 25.0 110.854 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -60.05 -46.37 89.77 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 115.816 -0.629 . . . . 25.0 112.636 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -65.94 -40.03 91.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.063 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.93 -33.68 76.25 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.268 0.556 . . . . 25.0 110.383 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -24.92 61.28 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.51 -0.768 . . . . 25.0 111.266 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.18 -15.1 46.46 Favored Glycine 0 C--O 1.235 0.187 0 CA-C-N 116.331 -0.395 . . . . 25.0 112.135 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 50.1 t0 -65.22 114.03 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 25.0 110.827 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.73 -36.56 83.93 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -59.66 -52.06 67.11 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.908 -0.495 . . . . 25.0 110.808 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.8 -39.7 94.01 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 117.791 -1.1 . . . . 25.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.4 -50.67 73.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 119.124 0.874 . . . . 25.0 112.719 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.1 t -64.61 -38.42 90.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 118.624 0.647 . . . . 25.0 112.165 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -67.43 -45.09 77.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.57 -0.529 . . . . 25.0 109.57 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.51 -34.16 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.331 -0.989 . . . . 25.0 108.331 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.674 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.2 tp -56.87 -46.86 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.899 -0.5 . . . . 25.0 111.223 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.64 -35.06 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.972 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.5 -45.01 95.34 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.323 0.582 . . . . 25.0 109.779 174.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -64.75 -39.16 93.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.113 -0.494 . . . . 25.0 110.596 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -63.0 -41.81 99.67 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.491 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -64.07 -44.85 91.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.781 0.264 . . . . 25.0 111.387 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.75 -34.38 71.79 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.804 0.811 . . . . 25.0 111.042 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.9 mtp85 -65.2 -44.03 89.67 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.92 -36.48 65.27 Favored 'General case' 0 C--O 1.208 -1.083 0 O-C-N 122.908 0.13 . . . . 25.0 110.908 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -56.8 -49.11 76.33 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -81.1 -29.16 34.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.901 0.858 . . . . 25.0 111.665 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.33 -34.18 70.31 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.48 -0.782 . . . . 25.0 110.24 -178.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -58.16 -36.91 73.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.96 0.104 . . . . 25.0 110.872 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.99 -40.33 96.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.413 0.625 . . . . 25.0 110.308 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -71.14 -44.49 65.45 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -75.3 -18.46 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.91 -0.586 . . . . 25.0 112.303 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -10.56 0.85 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.933 1.457 . . . . 25.0 114.933 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 79' ' ' PHE . 52.1 tp -101.68 130.59 48.07 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 174.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.467 ' CD1' ' HG ' ' A' ' 78' ' ' LEU . 47.7 m-85 54.46 -178.95 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.213 1.805 . . . . 25.0 114.66 -173.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t 63.68 103.69 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.287 1.035 . . . . 25.0 113.336 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.38 20.16 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.379 -0.601 . . . . 25.0 109.379 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -110.07 97.18 28.73 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.046 -0.979 . . . . 25.0 113.371 -165.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -83.26 161.0 15.24 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 117.601 -1.133 . . . . 25.0 111.846 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -135.12 11.19 3.57 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.675 0.75 . . . . 25.0 111.717 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -146.14 98.82 3.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.49 -37.85 59.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.819 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.77 -31.59 35.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.452 0.644 . . . . 25.0 110.298 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 53.84 20.94 2.52 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.513 1.671 . . . . 25.0 115.513 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -81.79 143.88 31.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.727 -0.472 . . . . 25.0 109.727 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.89 161.6 34.39 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt 62.36 172.6 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.935 1.294 . . . . 25.0 113.654 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.8 mt 65.02 93.37 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 123.301 1.524 . . . . 25.0 111.5 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -124.23 149.93 45.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.303 -1.771 . . . . 25.0 108.372 -176.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -89.09 127.2 35.7 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.182 1.178 . . . . 25.0 114.182 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -132.78 95.12 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 166.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mt -111.92 26.93 2.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 57.85 4.04 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.041 0.924 . . . . 25.0 110.982 -177.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 . . . . . 0 N--CA 1.482 1.155 0 C-N-CA 126.457 1.903 . . . . 25.0 113.918 177.73 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 124.399 2.047 . . . . 25.0 112.821 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -82.11 113.78 20.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 113.532 -1.667 . . . . 25.0 109.691 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -134.96 167.96 19.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -147.06 178.57 8.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -134.22 151.45 51.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -64.27 119.58 10.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.394 -0.225 . . . . 25.0 110.394 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.5 t -154.36 66.01 5.15 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.88 151.71 45.87 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 116.739 -1.707 . . . . 25.0 112.591 -176.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.17 24.07 0.28 Allowed Glycine 0 C--N 1.317 -0.477 0 CA-C-N 114.289 -1.323 . . . . 25.0 113.522 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -83.05 -1.34 52.47 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 123.512 1.625 . . . . 25.0 110.559 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.3 mm -84.73 66.2 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.921 0 CA-C-N 111.583 -2.553 . . . . 25.0 106.741 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.9 p -66.31 129.34 39.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.183 -0.917 . . . . 25.0 112.336 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -77.13 -8.0 56.76 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.9 m 44.37 60.7 11.99 Favored Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 115.377 1.621 . . . . 25.0 115.377 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -67.33 -31.63 34.62 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 115.943 -2.238 . . . . 25.0 114.088 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -75.14 -14.02 60.52 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.79 -0.569 . . . . 25.0 110.073 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.01 -16.99 80.29 Favored Glycine 0 C--O 1.224 -0.487 0 N-CA-C 110.61 -0.996 . . . . 25.0 110.61 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.32 -33.69 61.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.42 -30.51 37.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.417 1.103 . . . . 25.0 108.883 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -119.65 81.88 25.45 Favored Pre-proline 0 C--O 1.241 0.645 0 CA-C-N 115.106 -0.952 . . . . 25.0 112.276 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.687 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.1 Cg_endo -59.55 -31.03 93.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 O-C-N 121.654 0.292 . . . . 25.0 112.801 175.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.7 97.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.302 -0.249 . . . . 25.0 111.575 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.93 -36.8 48.95 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.24 0.338 . . . . 25.0 110.456 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.06 -41.43 90.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.571 -0.451 . . . . 25.0 110.07 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -56.53 -43.42 79.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.24 -44.26 84.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.975 0.417 . . . . 25.0 111.597 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.32 -48.71 80.58 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.305 0.574 . . . . 25.0 110.618 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.565 -0.743 . . . . 25.0 112.471 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.69 -35.75 81.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.058 0.456 . . . . 25.0 110.267 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.56 -11.39 59.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.67 0.618 . . . . 25.0 112.67 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -115.92 100.33 53.43 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.79 -25.62 53.22 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 N-CA-C 115.471 1.296 . . . . 25.0 115.471 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -76.19 -44.49 37.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.953 0.882 . . . . 25.0 110.685 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -35.19 69.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.318 -0.856 . . . . 25.0 110.258 -174.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -28.68 67.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.012 0.434 . . . . 25.0 110.11 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.9 t -74.7 -42.11 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 25.0 111.275 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.17 -31.17 71.4 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-O 121.942 0.877 . . . . 25.0 109.128 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.0 tp -66.39 -43.71 85.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 115.192 -0.913 . . . . 25.0 111.928 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -69.63 -26.24 64.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 119.961 -0.696 . . . . 25.0 111.999 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.16 -54.12 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.5 0.667 . . . . 25.0 110.878 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -89.56 -26.37 20.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.88 1.437 . . . . 25.0 114.88 -168.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.08 68.08 48.59 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -55.19 -35.92 92.07 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 N-CA-C 117.982 2.262 . . . . 25.0 117.982 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.83 -29.11 29.11 Favored 'Trans proline' 0 C--N 1.363 1.309 1 C-N-CA 112.507 -4.529 . . . . 25.0 115.866 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 tp -75.34 -33.39 61.1 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.729 -1.232 . . . . 25.0 108.582 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.54 75.41 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.818 -0.628 . . . . 25.0 112.473 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.18 -31.51 69.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.728 0.695 . . . . 25.0 111.206 -177.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.16 -43.45 98.8 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-O 120.958 0.409 . . . . 25.0 111.837 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.9 -40.44 91.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.741 -0.663 . . . . 25.0 109.812 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.19 -30.83 71.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.154 0.502 . . . . 25.0 110.929 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -74.15 -24.74 59.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.559 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.35 -13.64 57.13 Favored Glycine 0 C--O 1.235 0.167 0 CA-C-N 116.504 -0.316 . . . . 25.0 112.499 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.6 t0 -70.72 111.54 6.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.917 0.389 . . . . 25.0 110.984 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.01 -36.63 84.2 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.96 -51.6 68.99 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.855 -0.528 . . . . 25.0 110.791 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.4 ptmt -65.04 -35.98 82.89 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.245 -0.582 . . . . 25.0 109.605 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.3 -51.35 68.04 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 118.429 0.559 . . . . 25.0 112.334 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -63.11 -39.98 96.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.39 0.614 . . . . 25.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -66.05 -51.56 57.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.244 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.26 -29.54 46.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.076 -1.083 . . . . 25.0 108.076 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.5 tp -61.16 -47.59 85.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.301 -0.249 . . . . 25.0 111.023 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.7 -33.94 45.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.163 -0.615 . . . . 25.0 110.766 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.54 -42.17 99.36 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -64.75 -40.32 95.09 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.205 -0.31 . . . . 25.0 110.477 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -65.87 -36.85 84.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.894 -0.504 . . . . 25.0 111.243 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -64.68 -44.73 89.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 118.206 0.457 . . . . 25.0 110.252 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.7 -42.36 99.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.643 0.735 . . . . 25.0 110.465 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -61.9 -45.13 95.07 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.511 -0.551 . . . . 25.0 109.511 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.41 -33.66 69.9 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 119.766 -0.159 . . . . 25.0 111.349 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -56.59 -48.83 76.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.821 -0.549 . . . . 25.0 111.662 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -83.15 -35.5 25.49 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -79.43 -27.75 41.7 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.673 1.36 . . . . 25.0 114.673 -173.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -58.14 -35.82 72.08 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 118.688 0.677 . . . . 25.0 109.475 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.85 -36.09 82.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.996 0.427 . . . . 25.0 111.275 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -71.34 -45.08 63.81 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.3 pt -75.45 -18.36 15.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.032 0.382 . . . . 25.0 112.032 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -53.02 -15.89 0.92 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.495 1.665 . . . . 25.0 115.495 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.99 -30.5 69.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.287 0.565 . . . . 25.0 110.854 174.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -120.63 164.94 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.714 -0.676 . . . . 25.0 110.759 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -79.82 71.45 6.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.153 0.501 . . . . 25.0 110.774 175.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.16 45.44 1.28 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.267 0.556 . . . . 25.0 109.587 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -72.03 151.71 92.76 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.273 -0.876 . . . . 25.0 112.235 -174.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.42 171.37 17.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 N-CA-C 114.274 0.836 . . . . 25.0 114.274 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -110.9 16.87 21.02 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.801 -0.636 . . . . 25.0 110.253 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 t0 56.92 77.29 0.27 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 122.52 1.152 . . . . 25.0 113.565 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.86 -28.82 67.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.628 -0.714 . . . . 25.0 112.326 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.73 -23.47 53.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.61 0.719 . . . . 25.0 111.339 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.56 2.0 2.06 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.241 -1.345 . . . . 25.0 113.942 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.6 148.13 43.38 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.777 0.798 . . . . 25.0 112.587 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.37 145.02 46.22 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.52 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -110.99 163.22 14.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.54 162.3 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.971 0 N-CA-C 102.916 -2.994 . . . . 25.0 102.916 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -97.45 165.07 12.18 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.827 -0.624 . . . . 25.0 111.421 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -65.34 143.62 57.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.389 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.29 54.56 0.31 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.286 1.588 . . . . 25.0 115.286 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.2 mt 48.45 48.15 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 121.989 0.9 . . . . 25.0 111.815 176.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -76.99 56.23 1.2 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 122.132 0.968 . . . . 25.0 112.744 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.209 -1.059 0 C-N-CA 127.165 2.186 . . . . 25.0 113.823 -179.471 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 124.336 2.017 . . . . 25.0 113.886 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -131.9 156.9 45.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 113.318 -1.765 . . . . 25.0 107.238 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -133.11 -78.45 0.49 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -79.66 168.73 18.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -155.75 149.53 25.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 m -148.61 154.98 40.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.6 p -157.24 145.96 14.65 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HD2' HD21 ' A' ' 31' ' ' ASN . 36.4 Cg_endo -84.02 -172.62 1.34 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 120.59 0.86 . . . . 25.0 110.876 175.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.18 28.39 16.14 Favored Glycine 0 C--O 1.218 -0.892 0 N-CA-C 112.057 -0.417 . . . . 25.0 112.057 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 12' ' ' THR . 42.5 mt-10 -85.19 22.97 1.34 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.847 0.832 . . . . 25.0 112.906 -175.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -74.97 32.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 126.03 1.732 . . . . 25.0 111.187 172.732 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.421 ' H ' ' C ' ' A' ' 10' ' ' GLU . 63.3 p -117.08 -177.24 3.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.236 -0.893 . . . . 25.0 111.107 -175.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -66.4 162.27 20.8 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.992 -0.744 . . . . 25.0 108.992 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m 53.34 66.23 4.88 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 115.114 1.524 . . . . 25.0 115.114 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -72.22 -4.42 15.18 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.06 1.84 . . . . 25.0 115.313 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 71.59 -37.99 0.41 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.147 1.779 . . . . 25.0 113.571 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.59 3.25 6.46 Favored Glycine 0 C--O 1.222 -0.606 0 CA-C-O 120.987 0.215 . . . . 25.0 113.199 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.78 -26.48 68.65 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.577 -0.366 . . . . 25.0 110.922 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -94.12 -25.54 17.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 122.23 1.014 . . . . 25.0 109.474 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -114.75 83.81 9.56 Favored Pre-proline 0 C--O 1.24 0.578 0 CA-C-N 115.205 -0.907 . . . . 25.0 112.656 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.6 Cg_endo -59.63 -31.41 94.31 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 118.489 -0.54 . . . . 25.0 113.035 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.9 99.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.189 -0.319 . . . . 25.0 111.569 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -76.46 -39.13 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.229 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.53 -40.02 88.92 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.616 -0.434 . . . . 25.0 110.602 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -56.81 -45.36 82.32 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.28 -44.33 83.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.894 0.378 . . . . 25.0 111.68 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -60.1 -49.85 76.03 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.43 0.633 . . . . 25.0 110.05 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.248 -0.887 . . . . 25.0 112.319 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.99 -35.75 81.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.99 0.424 . . . . 25.0 110.617 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.82 -13.04 60.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.795 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.565 HD21 ' HD2' ' A' ' 8' ' ' PRO . 35.3 t-20 -110.56 98.26 36.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -174.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.51 -28.36 53.65 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 N-CA-C 115.59 1.342 . . . . 25.0 115.59 -175.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -76.11 -42.39 47.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.553 -0.717 . . . . 25.0 110.946 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.04 -37.26 69.74 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 -175.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -30.33 70.86 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.614 -0.679 . . . . 25.0 110.603 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -76.84 -41.52 43.8 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.6 -31.01 70.76 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 122.439 1.114 . . . . 25.0 108.888 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.241 -0.891 . . . . 25.0 112.981 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.22 -29.79 68.7 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 120.086 -0.646 . . . . 25.0 111.739 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -53.36 12.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.578 0.704 . . . . 25.0 110.889 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -81.85 -36.01 28.72 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -175.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -134.88 68.78 71.31 Favored Pre-proline 0 C--O 1.242 0.671 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -53.87 -35.64 80.4 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.757 2.56 . . . . 25.0 118.757 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.83 -31.53 24.86 Favored 'Trans proline' 0 C--N 1.36 1.178 1 C-N-CA 112.785 -4.343 . . . . 25.0 115.663 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -75.57 -33.62 60.63 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.937 -1.102 . . . . 25.0 108.381 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -48.03 75.08 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.6 -31.42 69.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.038 0.835 . . . . 25.0 110.463 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.9 -44.71 96.24 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.525 175.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.07 -41.43 90.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.492 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.27 -29.29 70.65 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.272 0.558 . . . . 25.0 110.786 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -76.49 -23.2 53.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.16 -21.3 21.28 Favored Glycine 0 C--O 1.236 0.245 0 CA-C-N 116.597 -0.274 . . . . 25.0 112.781 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.19 117.62 5.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.183 0.516 . . . . 25.0 111.857 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.43 -37.63 83.31 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.39 -51.1 70.92 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.498 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.7 ptmt -65.17 -37.66 88.07 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.456 -0.783 . . . . 25.0 109.708 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -62.13 -51.27 68.55 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 118.731 0.696 . . . . 25.0 112.301 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 t -60.73 -39.53 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 25.0 111.531 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -49.77 69.21 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.93 -29.53 37.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.0 tp -59.65 -45.5 91.82 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.85 -0.531 . . . . 25.0 110.903 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -76.05 -34.5 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.56 -0.456 . . . . 25.0 110.543 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.08 -38.74 89.96 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.673 -0.642 . . . . 25.0 110.475 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -64.12 -31.35 72.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.196 -0.315 . . . . 25.0 111.126 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -77.83 -35.65 50.98 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.231 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.86 -36.89 81.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.179 -0.326 . . . . 25.0 110.438 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.28 -39.91 84.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.346 0.594 . . . . 25.0 111.208 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -62.12 -32.86 73.49 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.59 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.14 -41.57 63.81 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.957 -0.465 . . . . 25.0 110.197 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -66.36 -46.17 77.66 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.75 -26.49 68.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.743 0.783 . . . . 25.0 110.547 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -76.58 -33.77 58.46 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 119.359 -0.937 . . . . 25.0 111.037 177.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -59.99 -38.74 83.47 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 122.008 -0.433 . . . . 25.0 111.669 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -74.54 -32.28 62.4 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.789 -0.569 . . . . 25.0 111.168 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -67.2 -42.78 83.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.665 -0.647 . . . . 25.0 111.417 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.8 pt -76.63 -20.25 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -80.2 -29.54 38.63 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 119.817 -0.753 . . . . 25.0 109.456 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.3 tt 63.1 -52.98 0.19 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.47 1.908 . . . . 25.0 115.072 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.25 113.15 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.419 -0.8 . . . . 25.0 110.075 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 m -140.8 142.78 34.63 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 104.902 -2.259 . . . . 25.0 104.902 175.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.77 15.51 16.4 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.91 151.33 48.67 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 113.495 -1.684 . . . . 25.0 107.525 -174.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.35 159.71 43.08 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 116.751 -1.7 . . . . 25.0 110.782 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -102.08 6.97 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.015 0.912 . . . . 25.0 111.549 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -160.75 105.88 1.42 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.503 -1.226 . . . . 25.0 108.314 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.52 -34.56 58.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.57 -39.6 18.56 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.854 0.359 . . . . 25.0 111.82 -177.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.15 36.89 16.81 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.517 1.127 . . . . 25.0 113.823 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -88.66 151.71 22.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.522 0.677 . . . . 25.0 111.764 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.32 169.36 13.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.748 -0.66 . . . . 25.0 110.939 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -130.16 170.53 13.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.987 -1.857 . . . . 25.0 105.987 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.9 mt -132.5 123.8 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 105.031 -2.211 . . . . 25.0 105.031 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -90.54 159.1 16.66 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.648 0.593 . . . . 25.0 111.486 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -141.56 157.98 44.42 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.528 0.331 . . . . 25.0 110.84 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -129.49 71.45 1.44 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.4 1.095 . . . . 25.0 108.161 168.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 pt -90.54 36.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.197 -0.91 . . . . 25.0 110.058 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -83.15 61.99 6.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.598 1.189 . . . . 25.0 111.326 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.482 1.135 0 C-N-CA 126.395 1.878 . . . . 25.0 114.374 178.759 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 122.244 1.021 . . . . 25.0 113.649 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.67 29.83 7.62 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 176.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 58.45 23.7 10.97 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.131 -0.94 . . . . 25.0 112.236 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 t -72.79 152.93 41.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.575 -0.738 . . . . 25.0 109.644 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -60.65 -23.31 64.69 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.495 0.664 . . . . 25.0 110.823 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -131.61 115.69 16.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 106.621 -1.622 . . . . 25.0 106.621 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -120.87 96.68 48.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 112.092 0.404 . . . . 25.0 112.092 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.69 175.29 10.45 Favored 'Trans proline' 0 C--N 1.345 0.394 0 N-CA-C 110.452 -0.634 . . . . 25.0 110.452 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' C ' ' H ' ' A' ' 11' ' ' ILE . . . 116.53 28.08 2.65 Favored Glycine 0 C--N 1.324 -0.129 0 N-CA-C 110.242 -1.143 . . . . 25.0 110.242 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -71.23 27.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 125.144 1.378 . . . . 25.0 114.36 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.409 ' H ' ' C ' ' A' ' 9' ' ' GLY . 50.0 mt -84.03 -13.44 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-O 123.895 1.807 . . . . 25.0 107.026 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -146.9 160.8 41.87 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 112.065 -2.334 . . . . 25.0 107.616 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m -101.26 134.63 44.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.709 -0.223 . . . . 25.0 110.667 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.8 p 40.32 65.18 4.14 Favored Pre-proline 0 N--CA 1.476 0.831 0 N-CA-C 115.375 1.621 . . . . 25.0 115.375 176.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.46 -41.22 21.03 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 116.371 -1.953 . . . . 25.0 114.174 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -72.98 -15.03 61.55 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.612 -0.68 . . . . 25.0 110.522 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.93 -20.32 79.86 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.941 -0.647 . . . . 25.0 111.927 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.57 -42.05 83.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.5 . . . . 25.0 110.399 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.66 -28.25 28.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.918 0.866 . . . . 25.0 109.997 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -114.89 83.77 9.76 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 113.231 0.826 . . . . 25.0 113.231 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB3' HD22 ' A' ' 61' ' ' LEU . 34.0 Cg_endo -62.09 -30.36 82.43 Favored 'Trans proline' 0 C--O 1.214 -0.716 0 C-N-CA 117.798 -1.002 . . . . 25.0 111.505 172.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.0 99.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.0 -34.44 50.78 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.059 -0.349 . . . . 25.0 110.059 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.5 tp -68.53 -41.72 79.5 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.563 -0.455 . . . . 25.0 110.335 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -44.46 79.65 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.63 -45.91 88.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.962 0.41 . . . . 25.0 111.772 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -60.44 -49.57 77.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.267 0.556 . . . . 25.0 110.682 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.78 -43.32 98.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.511 -0.768 . . . . 25.0 111.985 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.9 -35.62 81.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.954 0.406 . . . . 25.0 110.693 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.81 59.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 25.0 112.31 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.93 100.16 53.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.18 -25.59 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.44 1.285 . . . . 25.0 115.44 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.56 -42.2 43.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.441 0.639 . . . . 25.0 110.97 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.26 -38.31 66.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.453 0.644 . . . . 25.0 109.424 -175.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -29.42 70.37 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.762 -0.586 . . . . 25.0 110.097 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 t -74.68 -41.43 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.822 0.449 . . . . 25.0 111.623 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.94 -31.17 70.73 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-O 122.016 0.912 . . . . 25.0 108.936 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.33 -44.52 83.12 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 115.063 -0.971 . . . . 25.0 111.936 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -70.45 -26.17 63.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 120.133 -0.627 . . . . 25.0 112.35 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.31 -51.98 26.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.167 0.508 . . . . 25.0 110.409 175.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -93.75 -29.66 15.27 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.269 1.951 . . . . 25.0 116.269 -171.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -135.45 69.79 67.55 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 113.674 0.99 . . . . 25.0 113.674 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.27 -37.1 88.25 Favored 'Trans proline' 0 CA--C 1.55 1.319 0 N-CA-C 118.576 2.491 . . . . 25.0 118.576 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.65 -30.34 28.28 Favored 'Trans proline' 0 C--N 1.361 1.233 1 C-N-CA 112.855 -4.297 . . . . 25.0 115.857 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.61 -33.42 60.53 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.862 -1.149 . . . . 25.0 108.495 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -49.33 71.34 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.64 -0.709 . . . . 25.0 112.172 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.4 -31.44 70.38 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.587 0.631 . . . . 25.0 111.266 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.25 -44.21 97.62 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-O 120.821 0.343 . . . . 25.0 111.229 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 tp -66.21 -40.78 90.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.059 -0.518 . . . . 25.0 110.647 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.54 -30.48 71.5 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.166 0.508 . . . . 25.0 110.785 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 49.7 m -74.76 -26.46 59.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.672 -0.694 . . . . 25.0 111.375 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.2 -21.89 39.76 Favored Glycine 0 C--O 1.229 -0.164 0 N-CA-C 113.891 0.316 . . . . 25.0 113.891 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -66.1 121.29 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.345 0.593 . . . . 25.0 111.02 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -66.08 -40.22 90.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.448 -0.501 . . . . 25.0 110.225 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.96 -30.23 70.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.321 0.581 . . . . 25.0 110.282 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' A' ' 51' ' ' SER . 16.7 ptmt -78.48 -35.78 46.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.817 -0.753 . . . . 25.0 109.018 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.95 -46.66 83.7 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 123.094 0.246 . . . . 25.0 110.473 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -65.18 -37.87 88.73 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 122.886 0.474 . . . . 25.0 111.64 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.6 -50.44 67.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.727 -0.472 . . . . 25.0 109.727 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.87 -29.7 41.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.7 tp -61.18 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.856 -0.528 . . . . 25.0 111.16 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.01 -34.8 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.297 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -62.93 -42.51 99.83 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.785 -0.572 . . . . 25.0 110.884 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -60.61 -41.46 94.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -67.58 -37.3 82.4 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.702 -0.399 . . . . 25.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -68.84 -38.29 79.72 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.152 0.427 . . . . 25.0 112.152 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -67.2 -37.43 83.65 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.583 -0.698 . . . . 25.0 109.986 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -61.65 -49.92 74.6 Favored 'General case' 0 C--O 1.208 -1.093 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 175.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.03 71.35 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.12 -0.363 . . . . 25.0 111.756 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -67.03 -40.7 87.26 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.897 -0.502 . . . . 25.0 111.616 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -81.16 -30.2 34.48 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.03 -31.87 73.02 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -56.41 -35.55 67.93 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.011 0.434 . . . . 25.0 112.02 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.2 -36.39 61.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.429 0.633 . . . . 25.0 109.909 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -71.3 -39.41 71.48 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.685 0.995 . . . . 25.0 113.685 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.1 pt -64.12 -18.79 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 118.738 0.699 . . . . 25.0 111.676 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 -70.32 -9.92 57.51 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 175.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.0 tt -133.45 -46.7 0.82 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -101.44 149.08 24.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.636 0.374 . . . . 25.0 111.135 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.8 p -74.69 100.81 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.19 36.73 1.12 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.303 -1.74 . . . . 25.0 106.303 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -69.88 143.02 91.47 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.222 -1.353 . . . . 25.0 111.239 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.43 160.71 25.66 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 118.508 -0.528 . . . . 25.0 112.804 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -116.11 19.11 15.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.419 0.628 . . . . 25.0 109.985 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -144.54 110.72 5.49 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 104.987 -2.227 . . . . 25.0 104.987 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -77.37 -35.01 54.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.459 -0.791 . . . . 25.0 113.086 -175.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -85.03 -39.47 17.99 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.965 -0.294 . . . . 25.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 62.84 5.34 1.74 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.63 1.715 . . . . 25.0 115.63 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.33 -144.53 0.46 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.606 0.763 . . . . 25.0 112.992 174.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 53.15 94.27 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -94.79 168.25 10.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.37 -1.741 . . . . 25.0 111.095 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 87.2 mt -125.56 123.09 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 105.661 -1.977 . . . . 25.0 105.661 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -101.61 161.93 13.28 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -118.61 161.7 19.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.643 0.259 . . . . 25.0 110.924 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.8 t0 50.03 38.11 15.78 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 122.316 1.055 . . . . 25.0 112.529 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 pt -83.45 70.89 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.673 0 CA-C-O 122.969 1.366 . . . . 25.0 111.56 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 66.05 21.5 11.23 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 112.446 -2.161 . . . . 25.0 111.339 174.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 C--O 1.214 -0.8 0 CA-C-O 125.388 2.518 . . . . 25.0 112.747 179.3 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 124.791 2.234 . . . . 25.0 113.365 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -66.33 -28.36 68.61 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 112.686 -2.052 . . . . 25.0 110.066 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -95.8 6.22 49.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.668 -0.697 . . . . 25.0 111.217 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 t -137.31 25.19 2.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -173.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -134.65 132.25 38.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.901 -0.5 . . . . 25.0 111.711 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -156.03 34.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.0 m -143.88 75.47 15.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 114.728 1.381 . . . . 25.0 114.728 -171.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.88 168.29 25.15 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 118.482 -0.545 . . . . 25.0 110.72 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.44 43.25 0.1 OUTLIER Glycine 0 C--N 1.317 -0.48 0 C-N-CA 120.927 -0.654 . . . . 25.0 114.1 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -84.92 22.77 1.31 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.545 1.164 . . . . 25.0 113.484 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.436 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -77.98 11.1 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.241 0 C-N-CA 125.573 1.549 . . . . 25.0 112.659 -179.625 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.2 p -80.33 -15.65 56.41 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.594 -1.184 . . . . 25.0 111.592 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 p 65.21 171.52 0.21 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.147 1.379 . . . . 25.0 111.468 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.1 t -140.05 83.72 15.72 Favored Pre-proline 0 C--O 1.242 0.708 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -66.7 -8.64 21.81 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 121.732 1.622 . . . . 25.0 113.254 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -65.64 -2.68 3.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.036 -1.438 . . . . 25.0 112.359 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.18 -2.76 47.33 Favored Glycine 0 C--O 1.223 -0.549 0 N-CA-C 114.449 0.54 . . . . 25.0 114.449 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.452 ' HA ' HD21 ' A' ' 61' ' ' LEU . 70.6 mt -77.52 -30.68 53.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.578 0.689 . . . . 25.0 109.241 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -78.99 -24.7 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.645 1.212 . . . . 25.0 108.548 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -124.16 75.26 59.56 Favored Pre-proline 0 N--CA 1.446 -0.661 0 CA-C-N 114.718 -1.128 . . . . 25.0 112.529 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.731 ' HB3' HD22 ' A' ' 61' ' ' LEU . 30.4 Cg_endo -60.0 -29.88 90.33 Favored 'Trans proline' 0 C--O 1.212 -0.811 0 O-C-N 121.923 0.433 . . . . 25.0 112.232 175.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.7 93.02 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.297 -0.252 . . . . 25.0 110.654 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.9 mt -73.19 -38.42 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 25.0 110.293 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.32 -39.9 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.974 -0.291 . . . . 25.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -59.18 -44.69 92.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.159 -1.052 . . . . 25.0 108.159 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -44.82 91.38 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.751 -0.659 . . . . 25.0 112.067 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.9 ttp -61.93 -44.23 97.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.845 0.355 . . . . 25.0 110.796 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.0 -42.22 94.69 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.587 -0.279 . . . . 25.0 111.712 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.2 -37.56 85.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.28 0.562 . . . . 25.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.56 -16.0 57.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.554 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -110.12 103.6 54.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -173.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.46 -26.71 47.3 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.684 1.379 . . . . 25.0 115.684 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -76.01 -42.46 47.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.961 0.886 . . . . 25.0 110.438 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -36.07 65.32 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.276 -0.875 . . . . 25.0 110.004 -174.017 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -30.3 70.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.132 0.492 . . . . 25.0 109.778 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -74.51 -41.79 60.04 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 116.13 -0.486 . . . . 25.0 110.444 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.91 -33.73 76.71 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 121.369 -0.832 . . . . 25.0 108.915 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.28 -44.02 89.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.211 -0.904 . . . . 25.0 112.427 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -68.77 -29.19 67.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 120.3 -0.56 . . . . 25.0 111.93 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -74.79 -49.54 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.186 0.517 . . . . 25.0 111.278 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -89.98 -27.98 19.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.06 70.29 48.99 Favored Pre-proline 0 N--CA 1.477 0.914 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.59 -37.8 83.47 Favored 'Trans proline' 0 CA--C 1.553 1.458 0 N-CA-C 119.079 2.684 . . . . 25.0 119.079 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.19 -32.71 20.36 Favored 'Trans proline' 0 C--N 1.359 1.122 1 C-N-CA 112.728 -4.381 . . . . 25.0 115.454 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.1 tp -75.29 -30.31 60.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.981 -1.118 . . . . 25.0 107.981 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.74 -49.48 70.65 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 118.601 -0.714 . . . . 25.0 112.645 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -31.74 72.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.201 0.909 . . . . 25.0 110.601 -175.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.542 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.38 -45.65 87.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.109 -0.951 . . . . 25.0 111.603 172.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.504 -0.771 . . . . 25.0 110.658 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 16.9 mt -63.22 -32.36 73.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.236 0.541 . . . . 25.0 110.708 -173.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -70.18 -24.58 63.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.473 -0.785 . . . . 25.0 112.193 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.61 -15.48 46.32 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.397 -0.365 . . . . 25.0 112.695 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.442 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 44.7 t0 -65.62 116.09 6.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 25.0 110.558 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.4 -36.54 81.49 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.36 -53.08 62.27 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.964 -0.46 . . . . 25.0 110.83 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.8 ptmt -64.47 -36.99 85.99 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 177.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.534 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 73.2 t80 -61.35 -51.8 67.29 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.714 -0.616 . . . . 25.0 111.224 178.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -65.08 -38.51 90.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -46.69 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.77 -34.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.121 -0.631 . . . . 25.0 109.38 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -57.79 -44.8 86.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.854 -0.529 . . . . 25.0 111.045 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 p -74.73 -36.42 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.482 -0.487 . . . . 25.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -61.95 -42.19 98.84 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.517 -0.739 . . . . 25.0 111.251 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -61.32 -38.58 87.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.721 -0.474 . . . . 25.0 109.721 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -69.58 -37.47 76.98 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -65.9 -43.23 88.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.021 -0.424 . . . . 25.0 110.62 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -69.24 -35.35 76.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.388 0.613 . . . . 25.0 110.248 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -57.35 -50.2 73.71 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.19 91.1 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.432 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptt85 -68.36 -40.21 81.55 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 122.096 -0.377 . . . . 25.0 112.0 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -79.82 -33.39 40.38 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.774 0.797 . . . . 25.0 112.064 -178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -72.63 -30.73 64.56 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 121.72 -0.612 . . . . 25.0 110.298 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -55.35 -34.58 64.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.853 0.316 . . . . 25.0 111.853 171.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.43 -34.56 70.41 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 121.159 0.504 . . . . 25.0 109.962 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -69.49 -36.11 76.2 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.358 29.5 pt -68.4 -16.94 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.364 0.665 . . . . 25.0 112.368 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -54.38 -20.69 7.83 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.798 -0.564 . . . . 25.0 110.886 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.5 tp 54.53 -130.5 2.09 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.984 -1.117 . . . . 25.0 107.984 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.68 164.54 38.03 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 m 94.03 100.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 127.452 2.301 . . . . 25.0 109.258 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 63.14 19.75 11.86 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.553 1.141 . . . . 25.0 111.513 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -73.47 144.64 84.05 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 114.636 -1.165 . . . . 25.0 108.458 175.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -78.65 154.95 27.34 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 117.523 -1.185 . . . . 25.0 111.593 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -113.8 30.71 7.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -172.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.2 43.73 0.54 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.674 0.749 . . . . 25.0 110.041 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.8 mt -68.74 -22.87 64.29 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -70.12 -23.62 63.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 25.0 111.418 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.16 -1.01 42.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.987 0.736 . . . . 25.0 112.987 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -65.96 139.63 58.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.828 0.823 . . . . 25.0 111.102 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.37 140.01 57.2 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.006 -0.543 . . . . 25.0 109.627 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.03 144.44 51.46 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.172 -0.467 . . . . 25.0 109.751 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.5 mt -142.45 119.62 6.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 102.781 -3.044 . . . . 25.0 102.781 174.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -142.33 149.84 39.98 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 107.105 -1.443 . . . . 25.0 107.105 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -141.02 148.48 40.33 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 -176.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -147.99 102.64 3.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.3 pt -112.05 22.76 5.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.042 -0.981 . . . . 25.0 109.794 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -82.55 61.46 5.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 122.312 1.053 . . . . 25.0 111.853 -176.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 125.667 1.587 . . . . 25.0 114.428 178.079 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.207 -1.182 0 CA-C-O 123.526 1.631 . . . . 25.0 114.653 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -73.12 -16.53 61.45 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.827 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -137.9 153.47 49.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.1 t -147.19 -54.86 0.23 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.9 m80 68.73 159.62 0.17 Allowed 'General case' 0 N--CA 1.477 0.919 0 O-C-N 125.165 1.541 . . . . 25.0 108.225 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -149.16 149.89 31.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.238 0.472 . . . . 25.0 111.744 -174.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.2 m -157.14 83.65 3.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 C-N-CA 123.238 0.615 . . . . 25.0 110.083 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -76.67 173.78 13.92 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 120.164 0.576 . . . . 25.0 112.355 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.23 35.73 3.56 Favored Glycine 0 C--O 1.229 -0.199 0 CA-C-N 116.059 -0.519 . . . . 25.0 113.031 175.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.96 36.61 0.08 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.72 1.007 . . . . 25.0 113.72 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -76.99 -9.99 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-O 123.54 1.638 . . . . 25.0 110.431 -175.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 p -64.84 -25.88 68.09 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 111.993 -2.367 . . . . 25.0 110.175 175.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m 51.42 -144.8 0.55 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.206 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 t 37.79 65.46 2.72 Favored Pre-proline 0 N--CA 1.476 0.827 0 N-CA-C 116.264 1.95 . . . . 25.0 116.264 177.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.58 -7.1 20.54 Favored 'Trans proline' 0 C--N 1.348 0.546 0 CA-C-O 121.554 0.564 . . . . 25.0 113.407 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 71.76 -43.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 126.578 1.951 . . . . 25.0 112.68 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.84 18.35 9.35 Favored Glycine 0 C--O 1.22 -0.767 0 C-N-CA 121.599 -0.334 . . . . 25.0 113.27 175.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.2 -32.46 69.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.651 0.726 . . . . 25.0 111.454 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -90.02 -25.71 20.69 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.161 0.981 . . . . 25.0 110.012 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -113.49 85.72 9.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.247 -0.888 . . . . 25.0 112.699 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.509 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.9 Cg_endo -59.51 -30.98 93.85 Favored 'Trans proline' 0 C--O 1.217 -0.557 0 C-N-CA 118.367 -0.622 . . . . 25.0 113.114 176.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.87 91.68 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.151 -0.343 . . . . 25.0 110.832 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.8 -37.66 64.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.094 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.72 -41.33 88.09 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.83 -0.348 . . . . 25.0 110.435 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.57 -46.22 87.38 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -44.34 93.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.94 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.2 ttp -62.98 -43.72 98.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 120.69 0.281 . . . . 25.0 110.832 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.96 -40.25 96.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.29 -35.62 79.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.18 0.514 . . . . 25.0 109.868 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.03 -9.85 58.32 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -113.43 101.73 53.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.44 -24.94 48.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 N-CA-C 115.412 1.274 . . . . 25.0 115.412 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -76.11 -42.41 47.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.925 0.869 . . . . 25.0 110.97 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.05 -37.35 61.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.205 -0.907 . . . . 25.0 108.927 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -30.37 70.16 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.755 -0.591 . . . . 25.0 110.171 177.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -70.67 -45.53 64.91 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.251 0.62 . . . . 25.0 110.711 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.15 -33.77 76.53 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 121.518 -0.739 . . . . 25.0 109.515 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -65.16 -43.89 90.3 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.366 -0.834 . . . . 25.0 113.05 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.35 -26.22 64.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 120.154 -0.618 . . . . 25.0 111.885 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.19 -51.81 9.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.177 0.513 . . . . 25.0 112.296 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -84.46 -31.02 24.79 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -136.1 68.99 63.62 Favored Pre-proline 0 C--O 1.242 0.682 0 N-CA-C 114.473 1.286 . . . . 25.0 114.473 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.68 -36.14 89.1 Favored 'Trans proline' 0 CA--C 1.553 1.448 0 N-CA-C 118.208 2.349 . . . . 25.0 118.208 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.53 -30.15 23.82 Favored 'Trans proline' 0 C--N 1.362 1.287 1 C-N-CA 112.277 -4.682 . . . . 25.0 115.784 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -75.43 -30.93 60.19 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.795 -1.191 . . . . 25.0 108.45 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.36 71.52 Favored 'General case' 0 C--O 1.21 -0.997 0 C-N-CA 119.977 -0.689 . . . . 25.0 112.169 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -31.95 70.71 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.981 0.81 . . . . 25.0 111.843 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.97 -44.2 91.48 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 123.491 0.716 . . . . 25.0 111.777 173.044 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.16 -43.78 85.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.938 -0.573 . . . . 25.0 110.366 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 25.0 111.223 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -72.15 -23.8 61.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.767 -0.651 . . . . 25.0 112.113 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.7 -19.8 22.68 Favored Glycine 0 C--O 1.238 0.395 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.344 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 45.0 t0 -63.24 114.58 3.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.428 . . . . 25.0 111.357 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.98 -36.24 81.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.47 -52.12 66.96 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.668 -0.413 . . . . 25.0 110.287 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.2 ptmt -65.44 -38.35 89.61 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.079 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.511 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 68.4 t80 -59.22 -51.97 67.68 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 118.845 0.748 . . . . 25.0 111.784 177.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.9 t -64.01 -40.14 95.67 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -44.82 96.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.94 -34.3 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.9 tp -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.834 -0.541 . . . . 25.0 110.987 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.34 -35.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.363 -0.535 . . . . 25.0 111.172 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.07 -40.78 98.69 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.648 -0.657 . . . . 25.0 110.741 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -67.63 -36.92 81.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.782 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -65.12 -38.11 89.62 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.43 -0.508 . . . . 25.0 109.864 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -64.74 -40.57 95.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.216 -0.302 . . . . 25.0 111.623 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.6 -39.66 77.13 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.595 -0.691 . . . . 25.0 111.338 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -60.02 -41.4 92.1 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.72 -34.68 78.38 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 112.971 0.73 . . . . 25.0 112.971 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -36.93 69.33 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.426 -0.796 . . . . 25.0 109.97 -177.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -78.2 -26.46 47.52 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 121.187 0.518 . . . . 25.0 110.702 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.5 -36.65 61.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.318 -0.401 . . . . 25.0 110.097 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -57.8 -43.53 85.7 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -75.25 -31.53 60.83 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.968 -0.458 . . . . 25.0 110.304 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -71.28 -43.58 66.88 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.3 pt -69.76 -18.74 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 120.995 0.426 . . . . 25.0 110.999 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -64.61 -17.55 64.1 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.515 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 21.8 tp 58.84 -170.55 0.12 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.101 0.96 . . . . 25.0 110.188 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.515 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 47.4 m-85 62.46 -32.51 0.1 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 120.057 3.355 . . . . 25.0 120.057 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m -139.25 24.24 2.52 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.71 49.76 1.84 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.246 -1.343 . . . . 25.0 109.895 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -65.43 154.03 88.75 Favored Pre-proline 0 C--O 1.244 0.764 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -70.99 159.48 52.37 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 118.038 -0.841 . . . . 25.0 111.638 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -124.03 11.37 8.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.766 0.793 . . . . 25.0 110.31 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -155.17 121.81 5.35 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 104.397 -2.445 . . . . 25.0 104.397 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -79.99 -38.14 32.76 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -80.96 -34.42 33.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -175.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.61 34.64 0.14 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -107.11 153.31 22.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.103 0.477 . . . . 25.0 111.371 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -149.5 172.73 14.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -68.4 153.61 43.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.1 mt -89.77 90.99 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 105.577 -2.009 . . . . 25.0 105.577 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -139.6 157.72 45.32 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.25 166.35 30.19 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.43 0.292 . . . . 25.0 110.765 -174.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -149.7 64.8 0.99 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.7 pt -78.12 43.77 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-O 122.046 0.927 . . . . 25.0 113.32 -176.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -67.77 12.5 0.1 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.556 2.058 . . . . 25.0 116.556 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 C--O 1.209 -1.031 0 CA-C-O 124.149 1.928 . . . . 25.0 111.024 177.857 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 124.09 1.9 . . . . 25.0 114.389 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -69.52 137.34 52.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.199 -1.364 . . . . 25.0 110.263 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -75.36 163.57 27.31 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.41 0.624 . . . . 25.0 111.76 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 m -89.94 8.75 30.71 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 115.087 1.514 . . . . 25.0 115.087 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.2 m80 56.56 42.91 26.58 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.969 0.89 . . . . 25.0 109.963 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 m -140.02 172.57 12.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.788 -1.189 . . . . 25.0 107.788 -175.671 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 m -111.49 78.85 2.09 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-O 120.645 0.259 . . . . 25.0 111.354 176.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -77.64 84.17 2.03 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 N-CA-C 113.873 0.682 . . . . 25.0 113.873 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.19 -64.62 0.26 Allowed Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.645 -0.707 . . . . 25.0 114.185 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -85.77 27.68 0.84 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 115.132 1.53 . . . . 25.0 115.132 -173.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -0.24 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.196 0 CA-C-O 122.337 1.065 . . . . 25.0 111.458 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.7 p -94.11 76.8 4.06 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.797 -1.092 . . . . 25.0 113.13 -175.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -152.76 153.13 32.57 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.485 -1.302 . . . . 25.0 107.485 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 m 30.92 70.88 0.62 Allowed Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 116.318 1.969 . . . . 25.0 116.318 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -70.74 -4.82 15.46 Favored 'Trans proline' 0 CA--C 1.506 -0.88 0 C-N-CA 121.14 1.227 . . . . 25.0 114.999 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 69.41 -37.47 0.37 Allowed 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 126.442 1.897 . . . . 25.0 112.996 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.47 17.62 6.37 Favored Glycine 0 C--O 1.219 -0.815 0 O-C-N 122.22 -0.3 . . . . 25.0 112.95 172.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.75 -33.92 76.7 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 122.342 -0.505 . . . . 25.0 111.612 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -93.68 -22.86 18.49 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -115.53 79.21 7.05 Favored Pre-proline 0 C--O 1.245 0.855 0 CA-C-N 114.844 -1.071 . . . . 25.0 111.278 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.465 ' HB3' HD22 ' A' ' 61' ' ' LEU . 56.8 Cg_endo -64.27 -22.92 66.38 Favored 'Trans proline' 0 C--O 1.21 -0.922 0 C-N-CA 118.175 -0.75 . . . . 25.0 111.698 175.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.39 90.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.501 0.667 . . . . 25.0 110.717 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.65 -42.29 61.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.895 -1.048 . . . . 25.0 110.349 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.05 -38.66 86.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.253 -0.43 . . . . 25.0 110.643 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -58.13 -44.8 87.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.327 -0.62 . . . . 25.0 109.327 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.0 -46.83 76.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.795 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.6 ttp -60.58 -42.54 96.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.125 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -65.45 -43.75 89.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.5 -36.08 82.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.746 0.308 . . . . 25.0 110.378 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.57 -15.94 59.73 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.633 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -109.36 102.56 49.88 Favored Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -174.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.39 -25.14 49.15 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 N-CA-C 115.988 1.495 . . . . 25.0 115.988 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -78.0 -41.95 34.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.864 0.84 . . . . 25.0 110.908 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -71.13 -37.01 72.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.034 -0.985 . . . . 25.0 109.648 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.98 67.43 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.008 -0.433 . . . . 25.0 110.154 177.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.8 m -74.41 -42.43 59.22 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.489 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.97 -30.37 70.48 Favored 'General case' 0 CA--C 1.484 -1.56 0 C-N-CA 119.319 -0.953 . . . . 25.0 108.733 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -68.96 -43.26 75.36 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.577 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.73 -28.55 66.92 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 119.804 -0.759 . . . . 25.0 111.607 175.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.64 -52.1 14.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.315 0.579 . . . . 25.0 111.961 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -85.96 -28.49 24.22 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.35 1.241 . . . . 25.0 114.35 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -138.36 70.1 46.89 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.43 -37.27 89.48 Favored 'Trans proline' 0 CA--C 1.551 1.35 0 N-CA-C 117.801 2.193 . . . . 25.0 117.801 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.7 -29.25 29.73 Favored 'Trans proline' 0 C--N 1.36 1.159 1 C-N-CA 112.261 -4.693 . . . . 25.0 116.252 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.9 tp -75.3 -35.56 61.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.796 -1.19 . . . . 25.0 108.503 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.61 80.0 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.53 -30.84 70.01 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.026 0.83 . . . . 25.0 110.362 -176.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -66.41 -38.77 88.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.459 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -66.84 -44.97 79.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.393 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.24 -28.62 69.86 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.185 0.517 . . . . 25.0 112.273 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -74.12 -17.81 60.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.525 -0.761 . . . . 25.0 112.163 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.54 -30.27 4.19 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.356 -0.449 . . . . 25.0 113.713 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.23 110.35 0.93 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.51 0.672 . . . . 25.0 112.53 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.04 -33.9 76.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -51.14 -56.29 13.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 25.0 110.867 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.4 ptmt -73.36 -33.77 65.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.407 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.11 -50.9 71.88 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.471 -0.492 . . . . 25.0 110.375 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 t -61.36 -40.49 94.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.171 0.51 . . . . 25.0 112.251 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -63.08 -44.86 94.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.072 -0.392 . . . . 25.0 110.197 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.52 -32.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 119.537 -0.865 . . . . 25.0 109.185 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -57.68 -45.14 86.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.225 -0.297 . . . . 25.0 110.815 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.5 p -73.55 -35.6 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.261 -0.576 . . . . 25.0 111.07 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -62.31 -40.83 97.61 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.586 0.63 . . . . 25.0 110.972 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -67.28 -36.36 81.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.93 -0.481 . . . . 25.0 109.769 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.39 -33.46 73.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.965 -0.459 . . . . 25.0 110.554 176.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -66.01 -43.52 87.45 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 121.684 -0.635 . . . . 25.0 111.132 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.46 -37.31 84.85 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.374 -0.829 . . . . 25.0 110.376 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -61.01 -43.9 98.2 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 115.638 -0.71 . . . . 25.0 109.543 173.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.96 -33.13 72.71 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -64.75 -50.05 68.37 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 122.083 -0.386 . . . . 25.0 109.963 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -73.91 -27.43 61.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.477 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -35.52 81.07 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 122.315 -0.241 . . . . 25.0 111.301 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -60.91 -39.01 87.72 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.717 0.294 . . . . 25.0 110.496 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -75.4 -31.51 60.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.03 0.443 . . . . 25.0 111.404 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -64.95 -43.11 93.8 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.561 -0.712 . . . . 25.0 111.413 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.4 pt -75.96 -16.6 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.984 -0.447 . . . . 25.0 111.184 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -66.08 -26.87 67.68 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.295 -0.411 . . . . 25.0 111.277 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.7 tp 64.05 -48.01 0.28 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.493 1.917 . . . . 25.0 115.462 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -94.42 83.2 4.13 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 p -128.24 116.17 19.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.461 -1.245 . . . . 25.0 109.224 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.12 32.17 2.0 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.3 151.18 44.82 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 107.294 -1.373 . . . . 25.0 107.294 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.9 158.19 34.75 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 117.444 -1.238 . . . . 25.0 113.343 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -127.31 31.55 5.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.209 -1.404 . . . . 25.0 107.209 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.2 t0 66.89 105.55 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.76 1.624 . . . . 25.0 112.361 -172.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.49 -23.76 50.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.976 -1.011 . . . . 25.0 112.139 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.84 -54.12 4.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 44.58 39.92 3.64 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.542 1.312 . . . . 25.0 114.542 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -128.29 175.74 8.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 25.0 111.982 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.81 -173.97 0.14 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.068 0.947 . . . . 25.0 112.407 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -144.82 161.75 38.49 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 104.999 -2.223 . . . . 25.0 104.999 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 79.1 mt -125.25 108.33 19.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 103.98 -2.6 . . . . 25.0 103.98 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -120.61 132.4 55.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 -174.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -80.67 124.93 29.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.775 0.798 . . . . 25.0 112.67 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.01 27.86 0.14 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.297 -0.865 . . . . 25.0 113.306 178.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.8 mt -82.9 54.29 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-O 123.101 1.429 . . . . 25.0 107.509 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -88.67 45.85 1.33 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.932 -1.031 . . . . 25.0 111.465 -174.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 . . . . . 0 N--CA 1.487 1.392 0 C-N-CA 125.948 1.699 . . . . 25.0 113.987 179.974 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.528 3.447 0 CA-C-O 124.573 2.13 . . . . 25.0 114.27 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -76.91 41.76 0.29 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.066 -1.425 . . . . 25.0 112.412 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -69.21 -24.89 64.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.007 -0.433 . . . . 25.0 111.549 -178.831 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 m 66.46 139.87 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.968 1.307 . . . . 25.0 114.281 179.48 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -80.01 -39.16 30.56 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.684 -0.635 . . . . 25.0 111.201 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m 47.85 35.74 5.17 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.141 1.904 . . . . 25.0 116.141 175.111 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t -130.27 83.32 63.22 Favored Pre-proline 0 N--CA 1.47 0.574 0 N-CA-C 113.748 1.018 . . . . 25.0 113.748 -175.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.41 92.23 1.09 Allowed 'Trans proline' 0 CA--C 1.545 1.051 0 CA-C-N 118.135 0.369 . . . . 25.0 112.91 176.077 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.38 48.87 0.47 Allowed Glycine 0 C--O 1.226 -0.356 0 N-CA-C 116.497 1.359 . . . . 25.0 116.497 -176.098 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -77.47 33.18 0.16 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 121.76 0.79 . . . . 25.0 112.356 179.25 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.11 -23.86 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.925 0 CA-C-O 123.439 1.59 . . . . 25.0 110.496 -175.222 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -165.5 -40.63 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 111.975 -2.375 . . . . 25.0 110.485 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.5 m -75.05 165.22 25.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.716 -0.674 . . . . 25.0 109.535 177.313 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -114.02 68.16 1.62 Allowed Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 120.984 0.421 . . . . 25.0 111.545 176.139 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -76.65 -10.37 18.57 Favored 'Trans proline' 0 C--N 1.349 0.58 0 CA-C-O 121.837 0.682 . . . . 25.0 113.744 -177.079 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -68.9 -11.38 60.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.844 -1.071 . . . . 25.0 110.867 177.075 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.6 24.9 48.71 Favored Glycine 0 C--O 1.222 -0.625 0 C-N-CA 120.691 -0.766 . . . . 25.0 112.216 178.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 mt -69.82 -26.2 64.13 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 178.332 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -89.14 -12.24 41.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.778 -1.101 . . . . 25.0 110.227 177.59 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -131.6 76.07 75.55 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 113.235 0.828 . . . . 25.0 113.235 -176.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.6 Cg_endo -59.51 -33.31 97.12 Favored 'Trans proline' 0 C--O 1.223 -0.266 0 N-CA-C 113.127 0.395 . . . . 25.0 113.127 176.609 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.74 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.323 -0.235 . . . . 25.0 111.587 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -77.95 -40.72 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.024 0.44 . . . . 25.0 110.408 -178.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.41 -40.71 93.74 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.67 -0.412 . . . . 25.0 111.248 -178.028 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -56.59 -45.06 81.57 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 176.373 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.47 -43.61 98.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.129 0.49 . . . . 25.0 111.631 -177.03 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -63.65 -49.54 72.84 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.088 178.395 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.819 -0.628 . . . . 25.0 112.305 -177.427 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.5 mt -63.32 -33.35 75.34 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.26 0.552 . . . . 25.0 109.782 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.02 -4.0 59.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 25.0 112.46 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -122.84 99.76 41.21 Favored Pre-proline 0 CA--C 1.534 0.343 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 -175.82 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -66.62 -24.52 48.16 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 N-CA-C 115.693 1.382 . . . . 25.0 115.693 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.29 -39.52 54.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.825 0.821 . . . . 25.0 110.796 178.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -75.47 -33.46 60.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.141 -0.936 . . . . 25.0 108.684 -174.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.59 -29.14 64.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 175.293 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -71.63 -43.33 66.35 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.157 -0.34 . . . . 25.0 111.223 -178.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.58 -29.38 69.42 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.997 0.903 . . . . 25.0 109.897 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -70.17 -45.68 66.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.094 -0.957 . . . . 25.0 112.148 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -66.71 -26.05 66.83 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 122.011 -0.431 . . . . 25.0 111.063 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.54 -54.52 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.196 0.522 . . . . 25.0 111.594 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -93.51 -23.89 18.18 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 116.394 1.998 . . . . 25.0 116.394 -169.245 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -135.7 71.94 63.74 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 179.158 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.86 -39.56 89.49 Favored 'Trans proline' 0 CA--C 1.552 1.415 0 N-CA-C 117.845 2.209 . . . . 25.0 117.845 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.22 -32.26 27.32 Favored 'Trans proline' 0 C--N 1.361 1.226 1 C-N-CA 112.687 -4.408 . . . . 25.0 115.642 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -73.81 -32.45 63.73 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.897 -1.127 . . . . 25.0 108.995 177.085 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.25 68.42 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.924 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.1 -31.58 70.17 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.366 0.53 . . . . 25.0 111.866 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -59.43 -40.75 87.75 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 122.978 0.511 . . . . 25.0 111.28 174.892 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.8 -42.6 66.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.705 -0.68 . . . . 25.0 110.725 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.86 -33.38 75.15 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.768 0.794 . . . . 25.0 109.8 -176.429 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 t -71.55 -22.96 61.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.848 -1.069 . . . . 25.0 111.964 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.65 -17.44 35.24 Favored Glycine 0 N--CA 1.457 0.078 0 N-CA-C 114.199 0.44 . . . . 25.0 114.199 178.111 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 44.1 t0 -70.36 113.47 7.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.942 0.401 . . . . 25.0 111.502 -177.494 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.65 -33.45 75.93 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.653 -0.499 . . . . 25.0 109.653 177.7 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.23 -53.3 59.64 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.3 ptmt -67.94 -35.71 78.88 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.913 -0.715 . . . . 25.0 111.119 178.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.495 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 76.9 t80 -60.85 -51.12 70.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.677 0.671 . . . . 25.0 111.198 177.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -63.15 -38.23 90.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.57 79.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.089 -0.337 . . . . 25.0 110.089 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.15 -34.31 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.454 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.4 tp -57.8 -44.97 86.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.892 -0.505 . . . . 25.0 111.812 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.1 p -76.62 -33.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.496 -0.482 . . . . 25.0 110.718 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -62.15 -42.96 99.76 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.757 -0.589 . . . . 25.0 110.909 177.214 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.98 -35.65 79.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.754 0.312 . . . . 25.0 111.057 177.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -69.94 -38.82 76.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.98 -0.45 . . . . 25.0 110.691 177.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -67.33 -38.89 85.63 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.152 -0.342 . . . . 25.0 110.46 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.36 -43.47 85.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.386 0.612 . . . . 25.0 110.178 179.331 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -56.05 -46.34 78.93 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.095 -0.502 . . . . 25.0 109.653 176.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.07 99.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.553 -0.294 . . . . 25.0 111.434 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -67.97 -42.8 80.3 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.631 -0.668 . . . . 25.0 110.964 -176.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -74.45 -38.91 62.84 Favored 'General case' 0 C--O 1.21 -0.991 0 C-N-CA 120.125 -0.63 . . . . 25.0 111.772 -175.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.65 -38.36 77.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.36 0.527 . . . . 25.0 111.519 178.022 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.34 -37.3 86.73 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.562 0.22 . . . . 25.0 110.884 178.107 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -73.42 -33.96 65.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.648 0.261 . . . . 25.0 111.128 177.903 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -66.08 -40.7 91.03 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.885 -0.51 . . . . 25.0 111.142 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.7 pt -75.8 -18.79 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 121.881 -0.512 . . . . 25.0 111.312 177.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -75.17 -15.99 60.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 119.306 -0.378 . . . . 25.0 111.418 177.008 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.4 tp 65.83 -44.05 0.38 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.457 1.903 . . . . 25.0 114.731 -175.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -100.5 125.86 46.87 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.258 -0.276 . . . . 25.0 110.307 177.712 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -146.98 154.29 41.07 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.944 -1.872 . . . . 25.0 105.944 172.298 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.76 18.41 10.27 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 124.031 0.832 . . . . 25.0 110.473 176.555 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.09 150.49 45.24 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 -179.552 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.98 161.01 42.08 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 117.371 -1.286 . . . . 25.0 113.563 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.64 34.03 3.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.695 -1.224 . . . . 25.0 107.695 -178.566 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.1 t0 66.55 113.2 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 118.844 2.905 . . . . 25.0 118.844 173.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.45 -21.67 57.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.699 -1.591 . . . . 25.0 112.742 175.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -80.84 -21.13 41.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.224 0.535 . . . . 25.0 110.904 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.85 27.89 0.13 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 179.145 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -99.3 134.04 42.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.492 0.663 . . . . 25.0 111.147 -178.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.4 151.96 26.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.469 -0.787 . . . . 25.0 110.977 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -118.03 173.54 6.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.754 -1.572 . . . . 25.0 106.754 175.137 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 71.2 mt -124.01 107.55 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 177.06 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -142.74 122.22 13.21 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 123.589 0.756 . . . . 25.0 111.598 -176.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -106.68 117.58 34.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.443 0.64 . . . . 25.0 109.336 169.151 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -149.03 66.51 1.03 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.12 0.962 . . . . 25.0 110.138 178.004 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.5 pt -119.47 14.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 122.624 1.202 . . . . 25.0 108.048 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -83.92 46.76 1.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 114.229 -1.35 . . . . 25.0 112.636 -176.422 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--O 1.214 -0.807 0 CA-C-O 126.56 3.076 . . . . 25.0 112.07 -178.238 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.387 0 CA-C-O 123.96 1.838 . . . . 25.0 113.977 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -126.92 156.21 41.83 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 113.533 -1.667 . . . . 25.0 108.265 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -142.98 155.79 44.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 106.916 -1.513 . . . . 25.0 106.916 176.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -160.33 175.96 12.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 105.107 -2.183 . . . . 25.0 105.107 -178.46 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 69.0 -32.34 0.22 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 115.325 1.602 . . . . 25.0 115.325 179.28 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 p -76.91 68.81 3.15 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.66 1.356 . . . . 25.0 114.66 -178.908 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.417 ' HB2' ' HD3' ' A' ' 8' ' ' PRO . 6.0 m -151.51 -59.43 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 113.756 1.021 . . . . 25.0 113.756 174.253 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 7' ' ' SER . 24.3 Cg_endo -88.36 20.84 1.08 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 115.985 -2.21 . . . . 25.0 114.169 -178.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.42 -46.31 3.19 Favored Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 110.827 -0.909 . . . . 25.0 110.827 -172.028 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 50.83 76.37 0.16 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.911 -1.515 . . . . 25.0 106.911 -173.051 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.426 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -68.65 61.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.428 -1.53 0 C-N-CA 126.364 1.866 . . . . 25.0 111.635 -175.931 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.7 p -71.09 161.1 31.7 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.794 -1.548 . . . . 25.0 111.465 -177.619 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.05 14.24 0.56 Allowed 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 112.975 0.731 . . . . 25.0 112.975 177.622 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.8 m 52.2 66.18 5.36 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 114.18 1.178 . . . . 25.0 114.18 -178.674 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.39 -2.37 8.98 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 123.679 2.92 . . . . 25.0 113.975 178.381 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.38 0.8 0.25 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 113.412 -1.722 . . . . 25.0 112.535 171.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.02 9.82 65.26 Favored Glycine 0 C--O 1.225 -0.44 0 N-CA-C 112.193 -0.363 . . . . 25.0 112.193 178.649 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' HA ' HD21 ' A' ' 61' ' ' LEU . 73.5 mt -79.36 -38.54 34.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.457 0.646 . . . . 25.0 109.849 -178.689 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.44 -22.39 47.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.295 1.045 . . . . 25.0 109.024 177.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -118.93 73.69 12.44 Favored Pre-proline 0 C--O 1.24 0.562 0 CA-C-N 115.23 -0.895 . . . . 25.0 113.293 178.078 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.736 ' HB3' HD22 ' A' ' 61' ' ' LEU . 38.1 Cg_endo -62.37 -28.89 78.84 Favored 'Trans proline' 0 C--O 1.213 -0.771 0 O-C-N 121.728 0.331 . . . . 25.0 112.064 175.869 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.04 96.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.335 -0.228 . . . . 25.0 110.691 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.93 -41.39 64.59 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.358 -0.383 . . . . 25.0 110.145 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.01 -42.4 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.953 -0.388 . . . . 25.0 109.953 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -44.42 91.55 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 176.078 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.97 -43.98 90.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.878 0.37 . . . . 25.0 111.378 -177.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.12 -43.87 97.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.058 0.456 . . . . 25.0 110.458 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.36 -40.65 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.607 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.94 -37.75 85.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.208 0.528 . . . . 25.0 109.704 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.47 -13.56 59.01 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.978 0.733 . . . . 25.0 112.978 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -111.6 100.61 48.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -173.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.25 -25.61 57.21 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 N-CA-C 115.279 1.223 . . . . 25.0 115.279 -177.202 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -76.14 -43.36 43.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 25.0 111.161 178.574 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.98 -38.44 64.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -174.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -30.11 71.29 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.595 -0.691 . . . . 25.0 110.826 176.137 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -74.82 -39.61 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.186 0.594 . . . . 25.0 111.216 -179.406 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.04 -33.77 74.12 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 176.42 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.83 -43.06 97.34 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.252 -0.886 . . . . 25.0 112.595 -178.644 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -68.54 -26.14 65.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.083 -0.647 . . . . 25.0 112.495 175.367 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -78.68 -51.89 9.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 25.0 110.656 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.14 -34.1 32.72 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.586 1.699 . . . . 25.0 115.586 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.424 HD21 ' CD ' ' A' ' 64' ' ' GLN . 17.7 t-20 -137.35 66.77 52.61 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -176.351 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.31 -34.81 72.03 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 N-CA-C 118.071 2.297 . . . . 25.0 118.071 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.87 -29.14 28.83 Favored 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 112.403 -4.598 . . . . 25.0 116.014 177.054 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.47 -33.59 60.83 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.681 -1.262 . . . . 25.0 107.747 175.326 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.32 76.9 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.482 -0.781 . . . . 25.0 112.276 178.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.76 -32.57 72.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.07 0.85 . . . . 25.0 110.674 -177.648 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.468 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -59.78 -43.99 94.13 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 115.869 -0.605 . . . . 25.0 111.57 174.333 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.25 -41.13 90.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.693 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.81 -31.49 72.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.362 0.601 . . . . 25.0 110.756 -176.122 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.4 m -73.75 -24.24 59.85 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.644 -179.225 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.7 -11.95 54.4 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 116.306 -0.406 . . . . 25.0 112.563 -178.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.2 t0 -70.18 112.4 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 25.0 111.197 -178.798 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -36.95 85.51 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -57.09 -54.69 43.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.762 -0.586 . . . . 25.0 110.452 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.88 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 119.828 -0.749 . . . . 25.0 110.197 -179.419 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 61.3 t80 -59.8 -53.03 62.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 118.654 0.661 . . . . 25.0 111.993 176.343 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 t -63.86 -43.03 97.31 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -179.391 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -61.63 -45.25 94.85 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.837 -0.539 . . . . 25.0 111.504 -178.545 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.02 -34.22 62.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -59.17 -41.22 87.9 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 175.98 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.04 -44.38 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.051 0.387 . . . . 25.0 110.375 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -57.29 -44.84 84.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.492 0.663 . . . . 25.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' CD ' HD21 ' A' ' 42' ' ' ASN . 21.7 mt-30 -70.74 -33.25 70.62 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 176.546 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -62.74 -38.02 88.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.013 0.37 . . . . 25.0 110.575 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -61.78 -38.76 89.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.079 0.466 . . . . 25.0 109.761 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -78.16 -33.86 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.358 0.599 . . . . 25.0 111.515 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -38.97 92.97 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 122.812 0.445 . . . . 25.0 110.486 177.184 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.63 -30.81 63.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.895 0.379 . . . . 25.0 110.997 178.67 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -74.75 -31.22 61.74 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.534 -0.303 . . . . 25.0 110.964 179.393 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -75.4 -34.1 61.04 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 122.106 0.955 . . . . 25.0 109.243 176.639 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -28.77 69.8 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.411 -1.268 . . . . 25.0 112.065 -175.73 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -54.06 -39.99 66.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.041 -0.527 . . . . 25.0 110.147 173.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -75.15 -31.26 61.0 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.185 -0.322 . . . . 25.0 111.766 178.572 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -63.74 -42.89 97.79 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.905 -0.497 . . . . 25.0 112.337 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.4 pt -70.15 -18.77 21.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.774 -177.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -83.16 -18.91 37.74 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.294 0.238 . . . . 25.0 111.428 174.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.8 mt -117.23 -88.8 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.077 0.551 . . . . 25.0 111.078 -176.729 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -150.79 157.49 42.99 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 122.107 0.956 . . . . 25.0 112.46 178.252 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.1 t -158.41 158.23 33.8 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 100.566 -3.864 . . . . 25.0 100.566 171.707 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.85 17.52 0.99 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.723 0.773 . . . . 25.0 109.745 178.643 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.13 150.19 95.81 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 114.483 -1.235 . . . . 25.0 111.986 -174.713 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.18 172.89 15.28 Favored 'Trans proline' 0 C--N 1.349 0.589 0 N-CA-C 113.892 0.689 . . . . 25.0 113.892 -178.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -121.13 13.62 11.27 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.286 -0.87 . . . . 25.0 109.298 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.1 t0 72.61 120.07 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.432 1.893 . . . . 25.0 109.595 -171.638 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -48.82 49.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.747 -1.115 . . . . 25.0 111.179 -174.585 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.52 -46.72 10.58 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.017 -0.273 . . . . 25.0 111.064 176.516 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.44 51.38 16.92 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.763 0.825 . . . . 25.0 111.297 -176.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -121.23 175.78 5.95 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.233 -0.894 . . . . 25.0 113.291 -176.34 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 64.02 -172.06 0.17 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.99 1.478 . . . . 25.0 114.99 173.496 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.52 159.07 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -176.706 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.5 mt -93.44 105.62 17.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 176.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -120.16 144.42 47.69 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 107.983 -1.117 . . . . 25.0 107.983 178.367 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.37 153.76 46.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.446 0.641 . . . . 25.0 112.264 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -132.46 79.97 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.549 0.69 . . . . 25.0 110.313 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.2 mm -81.2 46.67 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 122.129 0.966 . . . . 25.0 110.159 -177.498 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -93.86 54.04 1.9 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.359 1.076 . . . . 25.0 108.968 -179.824 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 N--CA 1.487 1.412 0 C-N-CA 126.418 1.887 . . . . 25.0 111.911 -175.592 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.503 2.186 0 CA-C-O 124.322 2.011 . . . . 25.0 115.712 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -69.43 118.33 12.17 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 114.014 -1.448 . . . . 25.0 108.689 179.652 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -145.2 16.21 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.256 -0.429 . . . . 25.0 112.071 -173.062 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.5 p -149.45 163.23 38.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.706 0.288 . . . . 25.0 110.789 -177.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -134.71 -179.96 5.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.162 -1.422 . . . . 25.0 107.162 179.415 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -74.47 -101.77 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.598 1.332 . . . . 25.0 114.598 -177.999 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.2 m -151.51 159.03 34.0 Favored Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 121.495 -0.753 . . . . 25.0 110.125 -174.756 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -74.98 172.84 15.58 Favored 'Trans proline' 0 C--N 1.351 0.68 0 O-C-N 122.109 0.531 . . . . 25.0 112.324 176.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.35 -44.15 0.02 OUTLIER Glycine 0 C--O 1.219 -0.788 0 N-CA-C 116.433 1.333 . . . . 25.0 116.433 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 53.19 34.54 17.75 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 122.037 0.922 . . . . 25.0 111.816 -174.828 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.24 7.4 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.734 0 C-N-CA 124.818 1.247 . . . . 25.0 113.189 179.348 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -89.46 -7.81 54.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.863 -1.517 . . . . 25.0 110.336 176.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 p -69.22 160.5 31.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.472 -0.786 . . . . 25.0 110.227 177.162 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m 47.38 61.0 14.44 Favored Pre-proline 0 N--CA 1.477 0.879 0 N-CA-C 115.513 1.671 . . . . 25.0 115.513 -178.95 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 17' ' ' GLY . 89.5 Cg_endo -72.39 -9.8 24.69 Favored 'Trans proline' 0 CA--C 1.51 -0.68 0 N-CA-C 115.877 1.453 . . . . 25.0 115.877 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 67.87 -18.4 0.15 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.734 1.614 . . . . 25.0 113.47 -177.88 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 15' ' ' PRO . . . -65.98 -9.59 47.71 Favored Glycine 0 C--O 1.221 -0.674 0 N-CA-C 110.83 -0.908 . . . . 25.0 110.83 170.074 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.19 -36.87 81.03 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.099 0.476 . . . . 25.0 110.571 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -84.33 -26.62 28.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.208 1.004 . . . . 25.0 109.6 -178.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -117.97 80.84 15.16 Favored Pre-proline 0 C--O 1.239 0.528 0 CA-C-N 115.192 -0.913 . . . . 25.0 112.898 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.701 ' HB3' HD22 ' A' ' 61' ' ' LEU . 24.5 Cg_endo -59.79 -31.81 94.57 Favored 'Trans proline' 0 C--O 1.214 -0.692 0 O-C-N 121.655 0.292 . . . . 25.0 112.657 175.566 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.7 93.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.388 -0.195 . . . . 25.0 111.18 -179.555 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.07 -35.6 61.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.048 0.452 . . . . 25.0 110.443 -178.578 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 tp -68.78 -37.3 79.22 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.288 -0.258 . . . . 25.0 111.228 -178.331 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -61.32 -45.64 93.62 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 106.361 -1.718 . . . . 25.0 106.361 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.13 80.23 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.06 -1.427 . . . . 25.0 112.673 -179.215 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -60.97 -49.1 78.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.306 0.574 . . . . 25.0 110.431 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.25 -41.15 83.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.402 -0.817 . . . . 25.0 112.774 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.42 -37.34 86.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.947 0.403 . . . . 25.0 110.341 179.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.21 -11.12 59.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.328 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -109.94 96.05 23.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 -174.665 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.79 -29.53 76.96 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 N-CA-C 115.165 1.179 . . . . 25.0 115.165 -175.366 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -76.01 -38.76 56.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 25.0 112.149 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.82 -37.82 62.21 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 -176.745 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -67.54 -31.87 72.26 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.399 -0.521 . . . . 25.0 112.207 179.467 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -74.66 -39.29 62.12 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.123 0.487 . . . . 25.0 110.375 -178.311 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.59 -33.8 69.36 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.682 0.753 . . . . 25.0 109.465 177.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 51.6 tp -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 179.811 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.46 -26.18 66.26 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 119.896 -0.722 . . . . 25.0 111.544 175.302 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -77.5 -51.89 9.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.415 0.15 . . . . 25.0 110.864 176.681 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 38' ' ' LEU . 32.7 ptt180 -73.49 -38.2 65.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.364 1.616 . . . . 25.0 115.364 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -136.97 73.16 53.17 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 114.391 1.256 . . . . 25.0 114.391 -173.473 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.51 -38.15 94.33 Favored 'Trans proline' 0 CA--C 1.555 1.567 0 N-CA-C 118.144 2.325 . . . . 25.0 118.144 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.31 -30.96 23.52 Favored 'Trans proline' 0 C--N 1.362 1.266 1 C-N-CA 112.308 -4.661 . . . . 25.0 115.959 178.15 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.98 -31.21 62.88 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.791 -1.193 . . . . 25.0 108.284 175.901 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.14 73.99 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 118.653 -0.689 . . . . 25.0 112.215 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -59.96 -31.85 70.27 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.454 1.024 . . . . 25.0 110.988 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -58.22 -45.74 87.12 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.545 -0.752 . . . . 25.0 112.169 173.175 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 tp -66.29 -42.73 87.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.689 177.354 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.37 -31.29 72.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.288 0.566 . . . . 25.0 111.055 -175.277 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.9 -23.34 60.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.583 -0.735 . . . . 25.0 111.863 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.52 -20.18 19.77 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 116.37 -0.377 . . . . 25.0 112.206 -178.248 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 46.5 t0 -62.64 113.78 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.78 0.432 . . . . 25.0 111.503 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.74 -37.5 87.81 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 176.729 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.35 -53.34 59.37 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.982 -0.449 . . . . 25.0 110.556 -175.598 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 8.7 ptmt -63.97 -37.56 87.87 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.227 -0.589 . . . . 25.0 109.939 178.207 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.571 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 70.1 t80 -59.55 -51.44 69.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.66 0.664 . . . . 25.0 112.274 176.564 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.5 t -65.31 -40.0 93.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 178.362 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.44 90.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -178.75 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.49 -34.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.8 tp -54.4 -44.98 72.79 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.795 -0.566 . . . . 25.0 110.467 178.345 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.99 -42.67 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.823 0.344 . . . . 25.0 110.975 177.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.48 -38.09 86.03 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.844 -0.535 . . . . 25.0 110.783 179.11 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.48 -33.08 68.96 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.224 -0.298 . . . . 25.0 110.81 178.163 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -67.06 -38.91 86.65 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 175.048 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -64.28 -37.88 89.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.934 -0.395 . . . . 25.0 109.934 177.375 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.27 -36.95 66.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.159 -0.616 . . . . 25.0 111.47 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -42.89 89.44 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 176.71 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.02 67.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 177.79 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -72.55 -40.57 66.59 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 122.071 -0.393 . . . . 25.0 111.933 177.442 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -70.28 -29.87 66.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.638 0.732 . . . . 25.0 110.24 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -31.08 71.04 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.721 -179.16 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -57.82 -39.05 76.68 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.187 179.154 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -80.12 -32.13 39.05 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.03 1.493 . . . . 25.0 115.03 171.649 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -64.64 -28.03 69.34 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.444 1.276 . . . . 25.0 114.444 -176.8 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.6 pt -59.93 -18.81 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 176.576 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -59.59 -18.18 39.02 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 119.695 -0.193 . . . . 25.0 111.044 175.098 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 23.3 tp 60.91 -170.59 0.15 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.951 1.3 . . . . 25.0 110.174 178.435 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.516 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 63.8 m-85 55.97 22.43 5.77 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.643 1.349 . . . . 25.0 114.643 -179.469 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 t -92.77 115.05 27.76 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 176.894 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.19 39.05 1.16 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.22 -0.9 . . . . 25.0 110.955 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -72.82 143.68 84.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.17 158.64 33.7 Favored 'Trans proline' 0 C--N 1.345 0.354 0 N-CA-C 114.444 0.902 . . . . 25.0 114.444 -172.559 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -132.84 13.81 4.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.36 -1.291 . . . . 25.0 109.682 -176.64 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' ' 88' ' ' ALA . 49.4 t0 74.02 117.33 0.05 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.133 1.773 . . . . 25.0 110.678 -172.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.35 -26.52 58.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.15 -0.932 . . . . 25.0 111.199 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -80.61 -52.72 7.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 174.197 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' H ' ' CG ' ' A' ' 85' ' ' ASP . . . 48.38 30.45 2.33 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 113.962 -1.472 . . . . 25.0 111.752 -175.329 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -65.07 146.15 55.37 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.544 0.687 . . . . 25.0 111.139 -177.357 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.71 142.12 41.04 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -140.1 160.8 39.13 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 178.088 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.7 mt -134.96 120.37 30.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 100.874 -3.751 . . . . 25.0 100.874 170.717 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -130.56 140.14 50.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 -174.266 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -131.34 156.83 44.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.979 0.418 . . . . 25.0 111.634 -175.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -131.78 79.89 1.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 172.628 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.1 mt -81.13 63.63 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 122.844 1.307 . . . . 25.0 107.991 -176.816 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.58 12.9 1.81 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.326 -1.306 . . . . 25.0 114.461 -174.875 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.21 -1.024 0 CA-C-O 124.099 1.904 . . . . 25.0 112.428 -177.606 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 125.147 2.403 . . . . 25.0 113.465 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -57.45 -33.95 68.48 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.117 -1.856 . . . . 25.0 112.119 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -98.72 -2.05 39.1 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 122.067 -0.396 . . . . 25.0 111.818 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.5 m -75.42 -34.3 61.01 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 -179.392 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -96.66 -39.86 9.29 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.298 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.5 -34.64 0.12 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 117.509 2.411 . . . . 25.0 117.509 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.9 p -152.29 154.05 31.67 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 118.534 0.606 . . . . 25.0 110.082 178.827 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.685 ' HA ' HD21 ' A' ' 31' ' ' ASN . 45.7 Cg_endo -80.17 175.36 10.41 Favored 'Trans proline' 0 C--N 1.349 0.6 0 O-C-N 121.876 0.408 . . . . 25.0 112.53 176.363 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.4 27.84 2.3 Favored Glycine 0 N--CA 1.462 0.42 0 N-CA-C 120.437 2.935 . . . . 25.0 120.437 170.21 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -99.36 31.23 3.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.54 1.17 . . . . 25.0 109.266 176.263 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' H ' HG13 ' A' ' 11' ' ' ILE . 2.4 mt -64.05 -11.52 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 122.9 1.333 . . . . 25.0 114.163 179.353 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.0 p -79.49 -62.62 1.63 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 113.925 -1.489 . . . . 25.0 111.394 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.8 p -171.88 151.18 2.73 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.252 -0.648 . . . . 25.0 109.252 -179.104 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -129.44 75.75 79.6 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 172.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -67.7 -30.51 34.36 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 116.728 -1.715 . . . . 25.0 112.879 -175.815 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -70.45 -25.65 63.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.099 0.476 . . . . 25.0 110.509 176.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.29 -22.39 76.08 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.826 -0.702 . . . . 25.0 112.05 178.874 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.05 -41.41 86.52 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 117.085 0.443 . . . . 25.0 109.903 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -80.48 -31.65 37.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.205 -0.907 . . . . 25.0 109.928 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -117.19 79.8 11.4 Favored Pre-proline 0 C--O 1.241 0.641 0 CA-C-N 115.725 -0.67 . . . . 25.0 112.023 178.418 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HB3' HD22 ' A' ' 61' ' ' LEU . 43.0 Cg_endo -63.96 -22.46 68.39 Favored 'Trans proline' 0 C--O 1.219 -0.445 0 N-CA-C 112.782 0.262 . . . . 25.0 112.782 176.635 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.29 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.808 -0.442 . . . . 25.0 109.808 177.879 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.01 -35.63 49.66 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.184 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.28 -45.4 93.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 178.362 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -58.38 -47.23 84.53 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 116.07 -0.513 . . . . 25.0 109.886 177.736 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.36 -44.83 95.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.689 0.281 . . . . 25.0 111.59 -178.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.6 ttp -61.64 -47.32 85.92 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 120.766 0.317 . . . . 25.0 110.246 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.4 -44.31 97.37 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 177.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.57 -34.88 77.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.33 -29.38 61.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.685 HD21 ' HA ' ' A' ' 8' ' ' PRO . 31.0 t-20 -106.57 105.9 56.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 112.856 0.688 . . . . 25.0 112.856 -167.393 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.5 -23.93 42.95 Favored 'Trans proline' 0 C--O 1.22 -0.377 0 N-CA-C 115.76 1.408 . . . . 25.0 115.76 -175.459 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -76.46 -44.71 34.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.212 1.006 . . . . 25.0 110.138 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -33.33 68.81 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.496 -1.229 . . . . 25.0 110.247 -174.473 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -27.88 60.59 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.891 -0.506 . . . . 25.0 110.26 177.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -43.08 59.7 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.204 -177.114 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.32 -29.46 69.66 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 119.518 -0.873 . . . . 25.0 109.81 178.894 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -69.24 -43.24 74.41 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.122 -0.944 . . . . 25.0 112.105 -177.743 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -69.53 -26.77 64.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 120.19 -0.604 . . . . 25.0 111.588 175.596 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.64 -51.95 15.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.596 0.236 . . . . 25.0 111.066 176.135 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -89.87 -28.05 19.5 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 117.186 2.291 . . . . 25.0 117.186 -174.89 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -134.86 71.35 70.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 112.945 0.72 . . . . 25.0 112.945 -177.577 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -55.51 -37.01 95.42 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 118.195 2.344 . . . . 25.0 118.195 -178.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.76 -30.23 27.76 Favored 'Trans proline' 0 C--N 1.363 1.318 1 C-N-CA 112.689 -4.407 . . . . 25.0 115.756 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.46 -34.38 60.92 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.073 -1.017 . . . . 25.0 108.462 175.241 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -49.13 74.35 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.71 -31.0 69.2 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.863 0.756 . . . . 25.0 110.386 -178.837 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.24 -41.54 99.11 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.981 -0.554 . . . . 25.0 110.191 177.932 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -67.22 -42.07 84.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.511 -0.768 . . . . 25.0 111.241 176.015 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.23 -33.5 75.63 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.54 0.686 . . . . 25.0 112.476 -172.432 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.415 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 71.6 m -73.3 -18.74 61.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.856 -0.611 . . . . 25.0 111.714 177.235 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.91 -16.32 32.87 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 116.514 -0.312 . . . . 25.0 113.286 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -64.94 115.34 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.413 0.625 . . . . 25.0 111.961 -177.438 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.85 -34.55 78.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 178.102 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -55.37 -48.86 73.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.447 0.641 . . . . 25.0 110.877 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 16.4 ptmt -75.22 -37.26 61.17 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.579 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 84.7 t80 -60.19 -48.32 82.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.674 0.67 . . . . 25.0 110.719 177.533 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 t -66.68 -42.62 86.25 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.898 0.38 . . . . 25.0 111.066 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -63.56 -44.96 92.61 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.775 -178.521 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.29 -34.03 66.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 179.094 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.0 tp -56.63 -45.07 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.088 -0.382 . . . . 25.0 110.835 176.257 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.58 -43.75 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.77 0.319 . . . . 25.0 110.196 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -62.18 -39.62 93.3 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.729 -0.388 . . . . 25.0 111.341 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -67.14 -40.43 86.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.006 -0.434 . . . . 25.0 110.182 177.631 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -63.06 -41.35 99.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 177.071 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.44 -44.62 86.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.31 -44.4 83.51 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 117.809 0.277 . . . . 25.0 110.694 -179.168 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -65.61 -33.07 75.04 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.093 -0.643 . . . . 25.0 110.393 -177.682 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.09 -26.27 66.07 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.045 -0.525 . . . . 25.0 112.096 174.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -73.25 -41.12 64.05 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 176.138 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -70.02 -30.63 67.98 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 121.334 0.587 . . . . 25.0 110.104 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.87 -36.91 73.01 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.141 -0.481 . . . . 25.0 110.611 -177.523 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -57.9 -42.97 85.78 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 -178.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.36 -32.08 43.12 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.965 -0.459 . . . . 25.0 111.775 177.246 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -67.66 -44.27 78.26 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.311 0.486 . . . . 25.0 112.311 -179.693 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.4 pt -72.3 -18.68 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 121.854 -0.529 . . . . 25.0 111.517 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -66.29 -24.76 66.61 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.47 -0.937 . . . . 25.0 108.47 177.15 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 19.9 tp 60.46 179.9 0.1 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.874 1.269 . . . . 25.0 110.797 178.552 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.425 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 32.8 m-85 54.65 29.88 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.267 1.027 . . . . 25.0 113.264 -176.656 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.39 100.91 6.71 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 178.869 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.16 41.97 0.96 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.516 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.24 156.6 76.29 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.212 -0.904 . . . . 25.0 112.753 -172.441 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.58 -163.17 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 121.758 1.639 . . . . 25.0 113.016 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.2 t80 65.89 33.78 7.69 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.702 1.239 . . . . 25.0 108.224 -177.694 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -87.97 32.79 0.73 Allowed 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 113.867 -1.515 . . . . 25.0 111.337 178.493 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.86 -26.28 68.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.3 0.571 . . . . 25.0 109.967 178.541 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -70.05 -23.98 63.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.093 -0.958 . . . . 25.0 111.519 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.42 -4.01 58.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.359 0.599 . . . . 25.0 111.353 -176.361 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -108.42 128.97 55.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.594 0.712 . . . . 25.0 111.998 -173.796 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.97 173.33 16.11 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 177.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -129.94 152.72 49.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 104.868 -2.271 . . . . 25.0 104.868 172.364 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.23 117.22 46.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 103.819 -2.66 . . . . 25.0 103.819 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -129.55 134.9 48.0 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.578 -1.267 . . . . 25.0 107.578 -177.669 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -112.77 140.53 47.48 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 176.434 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -143.93 53.63 1.3 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.7 pt 35.56 28.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 120.729 3.603 . . . . 25.0 120.729 177.199 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -83.77 58.24 4.54 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.378 -0.826 . . . . 25.0 110.793 175.053 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 126.284 2.945 . . . . 25.0 114.698 178.114 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 124.391 2.043 . . . . 25.0 112.97 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -138.51 156.85 47.15 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 113.622 -1.626 . . . . 25.0 108.997 179.119 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 56.94 17.94 3.62 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.146 1.165 . . . . 25.0 114.146 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -79.17 47.17 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.429 0.691 . . . . 25.0 112.124 178.394 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -105.47 11.06 33.0 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 123.267 0.627 . . . . 25.0 110.937 -176.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m -119.63 159.61 24.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 -179.364 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 m -148.05 -54.7 0.02 OUTLIER Pre-proline 0 C--O 1.216 -0.67 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 176.143 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -80.31 169.13 17.69 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 113.741 -3.706 . . . . 25.0 109.642 164.415 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 11' ' ' ILE . . . 143.06 42.09 0.06 OUTLIER Glycine 0 C--N 1.319 -0.367 0 N-CA-C 110.843 -0.903 . . . . 25.0 110.843 -178.471 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -71.43 25.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -175.456 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.419 ' H ' ' C ' ' A' ' 9' ' ' GLY . 1.1 mt -105.76 3.98 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 123.609 1.671 . . . . 25.0 107.275 179.419 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -57.85 151.39 18.06 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.075 -1.875 . . . . 25.0 115.387 -176.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -107.02 -147.97 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 173.334 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -109.05 56.28 0.26 Allowed Pre-proline 0 CA--C 1.547 0.828 0 N-CA-C 114.594 1.331 . . . . 25.0 114.594 176.615 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -72.0 -19.62 26.44 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 115.447 -2.569 . . . . 25.0 113.925 -176.822 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.38 0.92 0.24 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.83 1.789 . . . . 25.0 115.83 -178.171 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.05 26.68 36.32 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.39 -0.909 . . . . 25.0 112.457 178.292 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.65 -36.88 81.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.521 -1.288 . . . . 25.0 107.521 177.041 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -84.64 -20.95 30.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.864 -1.516 . . . . 25.0 110.494 177.683 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -123.71 79.11 56.19 Favored Pre-proline 0 C--O 1.242 0.67 0 CA-C-N 115.947 -0.57 . . . . 25.0 112.274 -178.048 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.575 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.9 Cg_endo -59.5 -27.52 85.18 Favored 'Trans proline' 0 C--O 1.214 -0.678 0 C-N-CA 119.888 0.392 . . . . 25.0 112.713 176.803 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.2 96.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.841 0.312 . . . . 25.0 111.841 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.41 ' CD1' ' H ' ' A' ' 91' ' ' LYS . 78.2 mt -77.39 -37.01 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.529 -176.996 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.59 -39.17 88.29 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -44.51 87.51 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 175.429 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.32 -46.8 81.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 25.0 111.398 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.61 -49.84 76.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.505 0.669 . . . . 25.0 110.612 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.86 -42.85 99.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.39 -0.823 . . . . 25.0 112.417 -178.303 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.3 -37.99 89.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.097 0.475 . . . . 25.0 110.479 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.64 -18.98 56.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.596 -0.729 . . . . 25.0 112.264 -178.226 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -104.3 104.11 42.58 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -173.686 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -67.18 -26.61 42.27 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 N-CA-C 115.686 1.379 . . . . 25.0 115.686 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -76.15 -44.02 40.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.835 . . . . 25.0 110.091 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.63 71.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.807 -173.916 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -30.41 71.09 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.891 -0.506 . . . . 25.0 110.616 176.98 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -74.67 -40.39 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.476 0.711 . . . . 25.0 110.734 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -33.8 74.11 Favored 'General case' 0 CA--C 1.483 -1.603 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 177.756 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.67 -45.16 94.08 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.296 -0.865 . . . . 25.0 112.608 -178.836 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.98 -26.49 66.83 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 175.605 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.14 -50.45 9.03 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.119 0.485 . . . . 25.0 111.612 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -78.75 -34.31 45.84 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.563 1.32 . . . . 25.0 114.563 -178.664 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -139.01 66.53 39.49 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -174.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -54.26 -34.7 80.76 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 N-CA-C 118.67 2.527 . . . . 25.0 118.67 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.34 -32.15 26.73 Favored 'Trans proline' 0 C--N 1.363 1.314 1 C-N-CA 112.62 -4.453 . . . . 25.0 115.407 178.307 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.0 tp -75.3 -34.12 61.26 Favored 'General case' 0 CA--C 1.516 -0.362 0 O-C-N 121.001 -1.062 . . . . 25.0 108.263 176.306 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.88 -49.34 77.87 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.944 0.793 . . . . 25.0 110.813 -177.429 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.4 -40.89 98.45 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.837 176.431 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.56 -42.82 86.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.504 . . . . 25.0 110.566 177.228 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.59 -27.66 69.4 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.078 0.466 . . . . 25.0 111.5 -174.662 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 m -76.5 -22.72 54.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 112.839 0.681 . . . . 25.0 112.839 -177.46 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.9 -25.75 6.53 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.471 -0.395 . . . . 25.0 112.526 -176.382 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -57.42 102.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.864 1.266 . . . . 25.0 112.326 177.942 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.58 -34.04 76.18 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -54.37 -50.8 66.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.032 0.444 . . . . 25.0 111.404 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -73.38 -35.62 65.94 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 120.152 -0.619 . . . . 25.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 74.9 t80 -59.81 -50.67 72.92 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.236 -0.586 . . . . 25.0 111.112 177.477 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.4 t -64.72 -39.74 94.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 178.344 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -60.11 -50.16 74.78 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 178.175 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.0 -34.15 65.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.6 tp -57.06 -47.68 80.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.092 -0.38 . . . . 25.0 111.41 178.127 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.37 -34.72 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.264 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -60.91 -41.99 97.21 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 175.612 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -66.63 -46.83 74.54 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.694 176.864 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.54 -37.28 70.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.945 0.793 . . . . 25.0 111.951 -177.881 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -61.85 -37.77 85.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.188 -0.32 . . . . 25.0 111.696 177.188 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -76.26 -43.65 40.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.451 0.643 . . . . 25.0 111.548 176.735 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -62.45 -40.97 98.33 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.725 -0.67 . . . . 25.0 109.396 -174.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -36.35 65.79 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 178.458 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -68.17 -39.12 82.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.378 0.609 . . . . 25.0 111.314 179.536 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -80.79 -28.53 36.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.379 1.085 . . . . 25.0 110.019 -177.074 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.98 -25.72 67.99 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.261 -1.336 . . . . 25.0 112.767 179.121 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -51.22 -37.84 49.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.768 0.318 . . . . 25.0 110.759 174.401 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -75.16 -31.26 60.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.736 -0.603 . . . . 25.0 112.618 175.702 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.5 mtp-105 -68.66 -39.61 80.59 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.816 -0.553 . . . . 25.0 111.543 179.231 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.4 pt -71.1 -18.85 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.035 0.445 . . . . 25.0 110.363 177.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -70.79 -9.9 58.41 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.335 173.561 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tp -117.42 -169.42 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.641 0.776 . . . . 25.0 109.333 -178.398 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -126.9 165.99 18.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 -177.083 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.7 m 53.71 46.22 26.35 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.03 0.919 . . . . 25.0 110.342 -177.491 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.81 16.84 21.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.732 -1.122 . . . . 25.0 109.934 -177.387 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -107.12 153.83 40.79 Favored Pre-proline 0 C--N 1.313 -1.002 0 CA-C-N 114.464 -1.244 . . . . 25.0 111.449 -175.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -83.52 162.28 14.68 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-O 121.28 0.45 . . . . 25.0 112.879 178.128 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -93.71 10.18 33.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.132 0.968 . . . . 25.0 110.181 176.573 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -82.87 33.88 0.44 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.886 -1.052 . . . . 25.0 112.481 -175.155 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.67 -23.06 66.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.834 0.826 . . . . 25.0 109.651 178.15 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.9 -22.56 39.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.57 -1.195 . . . . 25.0 111.647 178.658 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.86 45.17 1.13 Allowed 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.297 0.639 . . . . 25.0 111.16 -175.218 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.5 130.98 49.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.96 0.886 . . . . 25.0 112.261 -175.503 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.23 163.97 27.35 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.797 -1.092 . . . . 25.0 112.784 -175.568 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' H ' ' CD1' ' A' ' 23' ' ' LEU . 90.6 mttt -122.2 172.93 7.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.133 -0.94 . . . . 25.0 109.149 178.778 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 30.9 mt -102.21 69.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 172.063 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -130.95 157.19 43.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.232 -0.895 . . . . 25.0 109.242 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.17 157.11 39.81 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.113 -0.699 . . . . 25.0 109.113 -179.181 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -142.19 84.4 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.302 1.049 . . . . 25.0 110.904 179.38 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.4 pt -126.59 44.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 106.3 -1.741 . . . . 25.0 106.3 175.608 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -83.2 57.57 4.02 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.411 -0.813 . . . . 25.0 111.859 -173.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 126.461 3.029 . . . . 25.0 111.376 -178.124 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 1 N--CA 1.542 4.142 0 CA-C-O 123.47 1.605 . . . . 25.0 113.5 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 59.06 -155.2 0.36 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.95 -1.932 . . . . 25.0 109.336 -178.406 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -103.59 144.73 31.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.793 -0.567 . . . . 25.0 110.538 -175.42 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.9 t -76.68 138.9 40.3 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.661 -1.237 . . . . 25.0 107.661 175.78 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -121.37 24.97 9.7 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -152.99 176.79 11.49 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.1 m -120.44 73.36 21.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.584 0.231 . . . . 25.0 111.363 176.436 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.24 -177.37 3.64 Favored 'Trans proline' 0 C--N 1.347 0.498 0 N-CA-C 111.166 -0.359 . . . . 25.0 111.166 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.45 42.59 1.98 Allowed Glycine 0 CA--C 1.524 0.604 0 C-N-CA 121.613 -0.327 . . . . 25.0 113.848 178.576 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -83.28 29.27 0.5 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.839 0.828 . . . . 25.0 111.907 -178.074 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mm -65.31 -18.08 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.577 0 CA-C-O 123.895 1.807 . . . . 25.0 112.98 -176.693 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -126.74 80.51 1.94 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 111.609 -2.541 . . . . 25.0 109.491 175.505 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.6 p -159.55 173.89 15.46 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 -179.297 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 m -120.4 76.05 25.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 123.245 0.34 . . . . 25.0 110.738 177.504 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.94 -12.32 28.28 Favored 'Trans proline' 0 CA--C 1.512 -0.599 0 N-CA-C 113.912 0.697 . . . . 25.0 113.912 -176.403 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -69.92 -6.19 31.24 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.102 -0.954 . . . . 25.0 111.109 173.569 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.68 21.25 77.81 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 111.542 -0.623 . . . . 25.0 111.542 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.93 -33.66 75.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -175.087 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -85.22 -13.86 48.6 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.826 0.822 . . . . 25.0 109.829 178.315 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -129.06 73.53 81.69 Favored Pre-proline 0 N--CA 1.447 -0.616 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.336 -176.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.659 ' HB3' HD22 ' A' ' 61' ' ' LEU . 35.6 Cg_endo -60.43 -27.73 85.4 Favored 'Trans proline' 0 C--O 1.218 -0.49 0 O-C-N 121.736 0.335 . . . . 25.0 112.663 176.384 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.044 -0.41 . . . . 25.0 110.7 178.267 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.96 -33.15 57.67 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.411 -0.358 . . . . 25.0 110.409 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.422 -0.584 . . . . 25.0 109.422 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -57.63 -41.99 82.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 177.376 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.11 -44.92 87.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.878 0.371 . . . . 25.0 111.798 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.8 ttp -63.16 -43.45 98.25 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.562 -0.29 . . . . 25.0 110.355 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.7 -44.16 96.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.498 0.555 . . . . 25.0 112.498 177.76 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.58 -34.63 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 25.0 109.947 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.24 -10.94 59.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.784 -0.644 . . . . 25.0 112.471 178.54 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -118.1 99.04 51.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -175.346 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.1 -25.61 58.33 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 115.362 1.255 . . . . 25.0 115.362 -176.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -76.18 -40.88 51.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.73 0.776 . . . . 25.0 110.707 178.911 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.66 -37.47 62.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.695 0.759 . . . . 25.0 109.083 -174.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -30.2 70.69 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.704 -0.623 . . . . 25.0 110.243 176.521 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.82 -42.6 57.73 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.965 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.04 -30.09 70.56 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.281 1.039 . . . . 25.0 109.713 178.789 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 tp -66.33 -44.37 83.55 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.497 -1.229 . . . . 25.0 111.794 -179.537 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -73.19 -26.17 61.06 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 119.83 -0.748 . . . . 25.0 112.01 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -69.09 -46.82 66.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.133 0.492 . . . . 25.0 110.615 177.128 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -106.17 -23.99 12.45 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 117.941 2.571 . . . . 25.0 117.941 -173.752 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -134.14 67.5 73.29 Favored Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -178.197 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -54.89 -34.52 86.13 Favored 'Trans proline' 0 CA--C 1.549 1.26 0 N-CA-C 118.632 2.512 . . . . 25.0 118.632 -177.628 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.59 -34.01 26.84 Favored 'Trans proline' 0 C--N 1.361 1.221 1 C-N-CA 112.698 -4.401 . . . . 25.0 115.149 177.891 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.59 -31.7 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.025 -1.047 . . . . 25.0 108.359 176.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.34 76.12 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.708 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.13 -31.35 69.99 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.781 0.719 . . . . 25.0 110.525 -178.029 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.36 -42.07 99.11 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.368 -0.833 . . . . 25.0 111.596 176.813 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.8 tp -67.13 -42.91 83.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.19 -33.17 75.18 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.191 0.519 . . . . 25.0 110.935 -174.703 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -72.09 -24.02 61.43 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.614 -0.721 . . . . 25.0 111.541 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.81 -22.06 12.88 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 121.485 -0.388 . . . . 25.0 112.706 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -62.79 108.57 1.21 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.362 0.601 . . . . 25.0 111.189 -179.411 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.68 -34.38 77.0 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.103 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.05 -51.9 66.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.019 0.438 . . . . 25.0 110.556 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 14.5 ptmt -69.44 -37.35 77.34 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.647 -0.821 . . . . 25.0 111.434 178.947 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.512 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 73.0 t80 -58.67 -50.21 74.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.573 0.624 . . . . 25.0 110.953 175.746 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -64.31 -42.57 96.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.57 -48.37 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.909 -0.495 . . . . 25.0 110.044 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.95 -34.1 67.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 -178.577 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 21' ' ' PRO . 5.6 tp -53.09 -45.17 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.095 -0.378 . . . . 25.0 111.148 177.551 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.81 -42.92 82.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.754 0.311 . . . . 25.0 110.188 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.2 -44.2 97.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.997 0.427 . . . . 25.0 110.662 -178.044 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -69.73 -32.55 71.16 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 122.006 -0.434 . . . . 25.0 110.452 179.025 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -65.34 -38.79 91.2 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.622 -0.674 . . . . 25.0 109.878 175.441 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -65.54 -39.35 91.66 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.642 -0.423 . . . . 25.0 110.484 178.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -74.83 -41.01 60.7 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.136 -0.626 . . . . 25.0 112.326 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -59.93 -36.18 76.48 Favored 'General case' 0 C--O 1.207 -1.174 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 -178.287 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.81 -30.99 66.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.015 -0.538 . . . . 25.0 112.329 176.193 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -74.39 -42.33 59.45 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 177.83 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -71.45 -32.82 68.77 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.961 0.41 . . . . 25.0 110.731 -177.412 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.01 -34.08 67.8 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.789 -0.642 . . . . 25.0 112.352 -173.867 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -58.22 -35.77 72.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.444 -0.344 . . . . 25.0 110.768 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -79.92 -39.57 30.05 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 172.145 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 mtp-105 -67.36 -29.22 68.7 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -174.124 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.1 pt -65.08 -18.69 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 176.703 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -65.48 -17.08 64.28 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 110.346 -0.242 . . . . 25.0 110.346 176.307 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.0 tp 61.57 177.41 0.12 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.414 1.486 . . . . 25.0 111.775 177.339 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 55.83 22.5 5.64 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.394 1.257 . . . . 25.0 114.394 -178.683 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 t -101.67 116.06 31.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.91 -1.041 . . . . 25.0 108.287 -179.208 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.06 46.62 0.96 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.842 -1.072 . . . . 25.0 109.359 179.231 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.26 136.55 93.73 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.003 -178.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -78.31 168.47 21.57 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.919 1.746 . . . . 25.0 114.141 -177.091 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -127.95 -7.17 5.51 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 123.157 1.456 . . . . 25.0 112.539 179.45 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -86.75 45.78 1.29 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.643 -2.072 . . . . 25.0 109.864 -173.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.3 -32.43 62.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.309 -0.86 . . . . 25.0 108.686 176.446 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.57 -41.38 16.5 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.085 175.537 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 43.68 53.61 5.89 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.94 1.459 . . . . 25.0 114.94 177.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -96.13 168.8 10.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.782 -0.645 . . . . 25.0 111.187 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.12 140.44 51.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.895 -0.779 . . . . 25.0 108.895 178.013 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -80.0 156.36 27.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.874 0.368 . . . . 25.0 110.977 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.88 93.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 178.03 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 53.32 174.7 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.405 2.372 . . . . 25.0 117.405 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -155.73 131.02 9.5 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.281 -0.418 . . . . 25.0 109.988 -178.852 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -142.92 80.41 1.69 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.996 0.903 . . . . 25.0 109.475 172.7 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.3 pt -87.92 35.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.641 0.734 . . . . 25.0 111.486 -178.381 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -82.75 48.84 1.39 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 122.516 1.151 . . . . 25.0 110.915 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.101 0 CA-C-O 124.773 2.225 . . . . 25.0 111.269 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 123.447 1.594 . . . . 25.0 114.66 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -153.22 163.19 40.33 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 114.729 -1.123 . . . . 25.0 108.511 -178.473 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 65.16 -45.5 0.35 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.918 2.192 . . . . 25.0 116.918 179.464 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.3 m -153.14 171.46 18.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 118.617 0.644 . . . . 25.0 111.562 -176.405 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -113.69 -147.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.191 -2.151 . . . . 25.0 105.191 172.586 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -120.09 161.83 20.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 177.352 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.9 m -145.89 136.28 12.11 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 104.071 -2.566 . . . . 25.0 104.071 175.262 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.62 166.92 23.28 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 116.096 -2.136 . . . . 25.0 113.635 -174.252 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.81 58.48 0.44 Allowed Glycine 0 C--O 1.218 -0.888 0 CA-C-N 114.881 -1.054 . . . . 25.0 111.375 -178.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -73.99 35.65 0.09 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -178.246 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.45 -13.42 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-O 123.574 1.654 . . . . 25.0 109.342 -175.514 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.52 100.22 0.25 Allowed 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 111.949 -2.387 . . . . 25.0 111.361 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.3 p -152.7 -179.42 7.6 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 -176.099 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 m 3.61 75.67 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.136 0 N-CA-C 118.399 2.741 . . . . 25.0 118.399 178.39 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.04 -4.08 14.47 Favored 'Trans proline' 0 CA--C 1.514 -0.503 0 N-CA-C 115.088 1.149 . . . . 25.0 115.088 -176.262 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 70.88 -28.87 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 126.51 1.924 . . . . 25.0 113.652 -176.172 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.0 -27.96 72.1 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.042 -0.599 . . . . 25.0 112.838 176.418 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HA ' HD21 ' A' ' 61' ' ' LEU . 1.5 pp -92.66 -28.54 16.61 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 117.371 0.585 . . . . 25.0 110.772 177.562 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -78.34 -29.5 47.63 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.002 0.906 . . . . 25.0 109.978 -174.917 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -129.06 76.64 78.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.272 -1.01 . . . . 25.0 108.272 174.674 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB3' HD22 ' A' ' 61' ' ' LEU . 72.2 Cg_endo -70.28 -24.34 27.4 Favored 'Trans proline' 0 C--O 1.215 -0.668 0 N-CA-C 113.019 0.354 . . . . 25.0 113.019 -177.202 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.438 -0.579 . . . . 25.0 109.438 177.051 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.82 -39.64 76.38 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.96 -44.09 90.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.445 -0.502 . . . . 25.0 110.426 178.036 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -56.53 -45.03 81.34 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 176.256 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -43.17 90.66 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -177.783 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.0 -48.56 81.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.415 0.626 . . . . 25.0 109.421 177.476 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.74 -42.25 96.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.913 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.54 -37.27 85.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 25.0 110.537 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.55 -14.86 57.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.654 -179.408 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -108.39 99.98 35.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 -173.764 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.57 -25.37 55.01 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 N-CA-C 115.234 1.205 . . . . 25.0 115.234 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -76.08 -43.1 45.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.466 0.65 . . . . 25.0 111.026 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.38 -39.49 62.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.599 . . . . 25.0 109.462 -174.754 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -29.28 70.15 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.752 -0.593 . . . . 25.0 110.419 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 t -74.67 -42.23 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.068 0.547 . . . . 25.0 111.336 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.42 -32.5 73.43 Favored 'General case' 0 CA--C 1.481 -1.701 0 O-C-N 121.527 -0.733 . . . . 25.0 109.142 177.24 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -64.92 -45.15 87.06 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 115.095 -0.957 . . . . 25.0 112.016 -179.249 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.51 -27.85 66.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 119.884 -0.726 . . . . 25.0 112.268 174.846 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -48.23 31.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.244 0.545 . . . . 25.0 111.807 177.279 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -93.26 -32.72 14.23 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.837 1.791 . . . . 25.0 115.837 -175.307 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -131.07 67.62 80.97 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -55.32 -35.23 91.05 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 118.16 2.331 . . . . 25.0 118.16 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -69.4 -28.54 26.88 Favored 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 112.395 -4.603 . . . . 25.0 115.648 177.909 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.5 tp -75.51 -35.13 60.83 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.711 -1.243 . . . . 25.0 108.305 174.213 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -47.99 81.1 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.816 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.67 -31.47 70.72 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.832 0.742 . . . . 25.0 110.619 -176.493 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.36 86.97 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.132 -0.486 . . . . 25.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.39 -42.86 82.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.24 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.99 -28.86 70.38 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.763 0.792 . . . . 25.0 110.049 -176.354 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -79.68 -14.95 58.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.513 -177.83 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.73 -30.58 3.47 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.648 0.619 . . . . 25.0 114.648 178.042 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.77 109.56 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.268 0.556 . . . . 25.0 112.447 -178.742 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.8 -33.86 76.08 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 106.726 -1.583 . . . . 25.0 106.726 176.205 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.62 -54.29 39.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 25.0 111.795 179.243 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -73.37 -32.84 64.74 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 120.528 -0.469 . . . . 25.0 110.242 -177.909 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.01 -51.71 65.77 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 123.116 0.26 . . . . 25.0 110.604 177.45 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 t -65.0 -40.79 95.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.916 0.389 . . . . 25.0 110.087 -178.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -49.85 72.35 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.278 -0.569 . . . . 25.0 111.231 -178.821 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.5 -29.38 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 -178.423 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.581 HD21 ' HA ' ' A' ' 18' ' ' LEU . 1.3 tp -60.24 -41.45 93.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 176.476 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.13 -37.13 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 122.395 -0.19 . . . . 25.0 110.797 178.3 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -58.06 -41.17 82.75 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 174.659 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.2 -34.01 74.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 119.162 -0.447 . . . . 25.0 111.552 176.459 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -63.06 -40.57 98.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.079 0.854 . . . . 25.0 110.348 176.397 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.3 -39.97 96.06 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -78.1 -40.41 38.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -175.64 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -63.85 -42.16 97.62 Favored 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 120.355 -0.538 . . . . 25.0 110.056 -179.001 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.82 59.59 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 123.94 0.775 . . . . 25.0 113.003 179.698 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -66.15 -48.85 69.43 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.026 0.441 . . . . 25.0 111.763 -179.566 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -77.46 -26.51 51.52 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.466 0.651 . . . . 25.0 110.675 -179.744 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.77 -30.89 69.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.358 -0.837 . . . . 25.0 112.646 -179.321 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -54.37 -38.78 66.51 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.92 0.39 . . . . 25.0 111.149 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -79.34 -31.3 43.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 177.061 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -66.72 -47.68 71.58 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.09 -0.381 . . . . 25.0 111.916 -178.677 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.3 pt -60.76 -18.41 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 113.748 1.018 . . . . 25.0 113.748 -174.66 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -65.33 -17.12 64.27 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 178.199 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 tt -146.91 -42.59 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.822 0.82 . . . . 25.0 112.563 -177.066 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -106.25 -171.74 1.95 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.423 -0.808 . . . . 25.0 110.199 -175.811 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.6 m 60.13 37.47 20.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.925 1.824 . . . . 25.0 115.925 171.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.89 39.77 0.5 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 170.391 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -79.16 145.82 65.8 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.703 -0.68 . . . . 25.0 110.034 -172.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.49 171.51 17.92 Favored 'Trans proline' 0 C--N 1.349 0.563 0 N-CA-C 114.64 0.977 . . . . 25.0 114.64 -177.151 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -117.27 9.16 13.35 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.662 -0.699 . . . . 25.0 111.169 -178.066 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.401 ' CG ' ' H ' ' A' ' 88' ' ' ALA . 47.0 t0 62.15 108.97 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 125.206 1.402 . . . . 25.0 112.139 -173.356 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.49 -29.04 69.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.872 -1.058 . . . . 25.0 111.976 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.89 -49.58 10.84 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 176.21 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' H ' ' CG ' ' A' ' 85' ' ' ASP . . . 42.7 46.7 4.46 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 122.544 1.164 . . . . 25.0 111.369 -176.67 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -71.73 169.25 16.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 115.682 1.734 . . . . 25.0 115.682 -171.532 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.19 132.74 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.575 1.695 . . . . 25.0 115.575 176.751 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -136.71 -168.37 2.25 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 107.351 -1.351 . . . . 25.0 107.351 -177.739 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.9 mt -109.11 109.21 27.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 -177.85 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.42 134.48 45.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 25.0 109.632 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -154.89 151.21 28.29 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 -178.578 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -146.49 43.19 1.19 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 106.957 -1.497 . . . . 25.0 106.957 168.47 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.3 mm -82.76 61.75 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -178.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -78.72 28.67 0.2 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.459 -1.246 . . . . 25.0 114.019 -173.22 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 . . . . . 0 C--O 1.211 -0.944 0 CA-C-O 125.041 2.353 . . . . 25.0 110.851 -177.814 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.503 2.221 0 N-CA-C 115.691 1.737 . . . . 25.0 115.691 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 59.61 -176.12 0.1 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 113.777 -1.556 . . . . 25.0 111.382 -177.044 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -150.32 156.4 41.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.436 -2.061 . . . . 25.0 105.436 178.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 m -86.47 140.26 30.12 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 176.474 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -159.24 164.54 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.568 -0.901 . . . . 25.0 108.568 179.457 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -148.04 151.62 36.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.795 -1.928 . . . . 25.0 105.795 175.527 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.1 m -122.78 83.45 49.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 -176.232 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.52 160.28 47.04 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 116.844 -1.637 . . . . 25.0 110.613 176.716 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.11 40.89 3.17 Favored Glycine 0 C--N 1.315 -0.614 0 N-CA-C 107.501 -2.24 . . . . 25.0 107.501 -173.798 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -72.09 41.45 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.808 1.643 . . . . 25.0 114.493 -174.285 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -93.21 2.96 8.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 123.331 1.539 . . . . 25.0 110.535 -177.131 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.1 t -70.55 154.91 41.38 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 113.816 -1.538 . . . . 25.0 112.239 -178.753 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -128.87 7.07 5.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.817 -1.083 . . . . 25.0 108.233 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 m 49.5 58.56 17.62 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 114.772 -1.103 . . . . 25.0 113.783 -174.347 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.63 -23.74 42.4 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 117.498 -1.202 . . . . 25.0 113.987 -177.275 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -63.63 -16.23 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.408 -0.36 . . . . 25.0 111.699 178.314 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -114.1 -32.89 1.92 Allowed Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.084 -0.579 . . . . 25.0 113.161 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -38.97 53.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.282 -0.266 . . . . 25.0 110.282 -177.247 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -83.26 -37.1 23.96 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -112.17 82.88 4.65 Favored Pre-proline 0 N--CA 1.435 -1.197 0 N-CA-C 116.03 1.863 . . . . 25.0 116.03 -173.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.628 ' HB3' HD22 ' A' ' 61' ' ' LEU . 33.7 Cg_endo -63.62 -24.44 69.65 Favored 'Trans proline' 0 C--O 1.216 -0.623 0 C-N-CA 117.976 -0.883 . . . . 25.0 112.789 173.77 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.94 82.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 -178.814 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 mt -68.56 -45.68 71.48 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 178.548 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.79 -39.77 95.06 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.852 -0.339 . . . . 25.0 111.456 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -58.77 -45.11 90.52 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.96 -42.52 76.51 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.548 -0.461 . . . . 25.0 111.252 -174.94 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.2 ttp -62.02 -42.52 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.771 0.428 . . . . 25.0 111.144 177.391 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -65.9 -42.82 89.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.88 0.371 . . . . 25.0 110.874 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.49 -38.23 89.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.251 0.548 . . . . 25.0 110.251 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.84 -15.64 59.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.27 -179.173 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -109.07 97.08 23.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.029 0.442 . . . . 25.0 111.642 -174.856 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.73 -25.61 61.06 Favored 'Trans proline' 0 C--N 1.346 0.415 0 N-CA-C 114.961 1.1 . . . . 25.0 114.961 -175.226 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -75.95 -42.25 49.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.14 0.495 . . . . 25.0 110.951 178.879 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.59 -43.9 62.74 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -175.277 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -58.3 -30.16 66.43 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.845 -0.534 . . . . 25.0 111.367 177.359 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -74.66 -39.94 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.738 0.815 . . . . 25.0 111.298 179.301 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.74 -33.59 68.82 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 177.909 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.52 -46.54 89.77 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.15 -0.932 . . . . 25.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -65.94 -26.14 67.45 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 174.745 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.74 -45.17 14.74 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 178.35 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.23 -31.4 17.92 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.639 1.348 . . . . 25.0 114.639 -176.445 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.58 64.44 51.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 113.122 0.786 . . . . 25.0 113.122 -177.037 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.62 -34.33 82.73 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 N-CA-C 118.725 2.548 . . . . 25.0 118.725 -177.293 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.42 -33.49 23.04 Favored 'Trans proline' 0 C--N 1.361 1.204 1 C-N-CA 112.525 -4.516 . . . . 25.0 115.426 178.57 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.26 -33.59 61.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -61.62 -49.33 77.04 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 118.439 -0.791 . . . . 25.0 112.281 179.734 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.96 -31.51 71.85 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.585 1.084 . . . . 25.0 110.775 -176.106 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.9 -43.18 96.74 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.067 176.176 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.09 -43.37 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.698 179.01 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 19.2 mt -64.49 -33.06 75.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.394 0.616 . . . . 25.0 110.599 -173.556 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.42 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 65.7 m -73.18 -21.97 60.57 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.288 -0.869 . . . . 25.0 112.074 -178.067 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.64 -20.3 32.2 Favored Glycine 0 CA--C 1.516 0.143 0 N-CA-C 114.896 0.718 . . . . 25.0 114.896 177.884 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.62 119.25 11.41 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 118.164 0.982 . . . . 25.0 111.481 -178.394 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.5 -35.11 78.5 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.106 -0.638 . . . . 25.0 109.846 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.97 -46.58 84.91 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.837 -0.745 . . . . 25.0 111.084 178.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 18.7 ptmt -70.68 -37.44 73.64 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -62.47 -49.85 73.78 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.298 -0.561 . . . . 25.0 111.371 178.173 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -67.02 -38.89 86.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.794 0.665 . . . . 25.0 112.794 -179.127 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.77 -45.08 83.86 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -178.703 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.17 -34.27 68.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 177.463 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.628 HD22 ' HB3' ' A' ' 21' ' ' PRO . 4.7 tp -53.84 -43.53 69.56 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 122.157 -0.34 . . . . 25.0 110.833 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.74 -44.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 117.994 0.361 . . . . 25.0 111.167 177.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -60.0 -37.7 80.44 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.716 0.77 . . . . 25.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -68.79 -44.51 73.45 Favored 'General case' 0 C--O 1.198 -1.656 0 CA-C-O 118.375 -0.821 . . . . 25.0 110.651 175.736 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 119.927 1.239 . . . . 25.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -62.22 -39.64 93.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.509 0.671 . . . . 25.0 110.533 178.581 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -78.06 -36.5 48.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.68 0.753 . . . . 25.0 112.356 -178.234 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -65.83 -36.49 83.61 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 -179.392 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.06 -31.02 60.83 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.069 0.461 . . . . 25.0 111.943 176.705 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -74.44 -31.37 62.25 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.115 -0.366 . . . . 25.0 111.425 178.826 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -81.15 -30.67 34.4 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 120.829 0.347 . . . . 25.0 110.729 177.527 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.56 -30.86 44.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.743 -0.662 . . . . 25.0 112.499 -179.424 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -58.16 -40.49 81.53 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.162 176.782 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -75.18 -35.63 61.54 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 172.179 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -63.18 -27.83 69.63 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 114.555 1.317 . . . . 25.0 114.555 -172.444 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.1 pt -64.77 -18.82 24.22 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 121.543 0.687 . . . . 25.0 112.342 176.611 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.1 ttp-105 -76.92 -10.54 59.44 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.366 -0.834 . . . . 25.0 111.021 175.657 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.3 tp -118.85 167.0 12.12 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 105.429 -2.063 . . . . 25.0 105.429 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -71.35 -30.12 65.78 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 112.857 0.688 . . . . 25.0 112.857 -175.929 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.6 m 47.08 47.92 15.87 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.418 -1.265 . . . . 25.0 112.344 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.41 54.97 2.14 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.048 0.939 . . . . 25.0 109.835 -178.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -62.63 119.79 53.95 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.741 -1.118 . . . . 25.0 108.309 -177.675 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -90.3 -174.36 0.77 Allowed 'Trans proline' 0 CA--C 1.536 0.588 0 N-CA-C 115.193 1.19 . . . . 25.0 115.193 -172.057 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 72.94 23.65 2.74 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.913 1.82 . . . . 25.0 115.913 169.342 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -87.21 63.93 8.07 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 169.281 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.82 -34.88 72.16 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.938 -1.028 . . . . 25.0 110.597 -173.892 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -80.89 -48.99 11.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.407 0.622 . . . . 25.0 109.507 175.657 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 52.37 24.19 2.81 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 114.047 -1.433 . . . . 25.0 113.201 -174.758 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -78.87 165.71 23.22 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.606 -0.516 . . . . 25.0 109.606 178.479 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -132.48 161.12 34.53 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.216 0.206 . . . . 25.0 110.748 -178.697 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.2 tttt 59.29 179.74 0.08 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.099 1.36 . . . . 25.0 114.14 178.487 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 85.5 mt -131.16 118.9 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 104.54 -2.393 . . . . 25.0 104.54 178.861 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.98 160.08 23.4 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.261 -0.274 . . . . 25.0 110.261 -178.27 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -148.09 126.1 12.06 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 174.653 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -114.23 40.49 2.5 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.352 1.072 . . . . 25.0 108.394 175.238 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.0 pt -72.61 24.02 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 114.729 1.381 . . . . 25.0 114.729 -176.069 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -82.94 2.67 33.48 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.343 1.068 . . . . 25.0 112.27 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--N 1.312 -1.052 0 CA-C-O 125.18 2.419 . . . . 25.0 111.48 -177.074 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.388 0 CA-C-O 124.013 1.863 . . . . 25.0 114.151 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -89.72 125.64 35.35 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 175.149 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -142.69 -47.28 0.33 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -179.356 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.8 t 63.03 176.48 0.15 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.17 0.988 . . . . 25.0 111.634 -174.779 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -171.61 148.22 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 176.716 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m 62.64 122.58 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.821 1.786 . . . . 25.0 115.821 177.989 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.3 t -127.05 73.88 76.8 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.834 -0.621 . . . . 25.0 112.064 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -78.45 164.65 26.1 Favored 'Trans proline' 0 C--N 1.347 0.499 0 CA-C-O 121.39 0.496 . . . . 25.0 112.624 179.306 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.37 27.44 4.45 Favored Glycine 0 C--O 1.227 -0.329 0 CA-C-N 115.292 -0.867 . . . . 25.0 111.105 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -71.18 24.37 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.925 1.454 . . . . 25.0 114.925 -175.145 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -87.29 7.16 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 C-N-CA 124.846 1.259 . . . . 25.0 110.971 -174.057 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -154.76 152.94 30.47 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.281 -0.872 . . . . 25.0 110.479 -179.381 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -151.79 107.35 3.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.337 . . . . 25.0 111.338 178.669 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 t 29.61 61.1 0.85 Allowed Pre-proline 0 N--CA 1.483 1.178 0 N-CA-C 116.076 1.88 . . . . 25.0 116.076 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -68.64 -29.47 29.79 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 115.36 -2.627 . . . . 25.0 113.105 -177.459 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -15.35 60.33 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 122.087 -0.383 . . . . 25.0 110.611 177.866 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.65 -18.24 75.91 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 111.433 -0.667 . . . . 25.0 111.433 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.64 -37.55 70.85 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.766 -0.827 . . . . 25.0 108.766 176.029 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.83 -35.34 44.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.853 -1.067 . . . . 25.0 110.098 179.064 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -112.08 88.38 10.19 Favored Pre-proline 0 C--O 1.243 0.725 0 CA-C-N 115.104 -0.953 . . . . 25.0 111.793 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HB3' HD22 ' A' ' 61' ' ' LEU . 30.1 Cg_endo -60.15 -27.21 84.41 Favored 'Trans proline' 0 C--O 1.217 -0.562 0 C-N-CA 117.747 -1.035 . . . . 25.0 111.904 171.524 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.95 87.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.63 0.253 . . . . 25.0 111.058 179.429 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.58 -41.51 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.546 -0.752 . . . . 25.0 110.782 -177.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.77 -39.15 90.74 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.47 -0.492 . . . . 25.0 110.357 -179.118 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -43.21 93.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.592 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -64.87 -46.19 82.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.227 0.537 . . . . 25.0 111.201 -177.611 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -60.67 -48.37 82.07 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.892 -0.595 . . . . 25.0 110.162 178.08 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.89 -34.63 78.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.445 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.5 -15.37 56.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -109.62 102.18 49.02 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -173.251 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.73 -25.07 46.72 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 N-CA-C 115.101 1.154 . . . . 25.0 115.101 -177.306 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -77.63 -44.35 28.48 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.726 -0.608 . . . . 25.0 110.839 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.83 76.77 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 -175.922 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -30.41 69.95 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.491 -0.756 . . . . 25.0 111.106 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -74.32 -46.75 38.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.642 0.377 . . . . 25.0 110.809 179.147 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.05 -29.85 70.77 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 119.921 -0.712 . . . . 25.0 109.987 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.67 -42.2 74.48 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.06 -26.27 66.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 119.779 -0.768 . . . . 25.0 110.703 175.048 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.75 -53.42 8.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -80.7 -29.47 36.46 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.07 1.878 . . . . 25.0 116.07 -175.643 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.09 69.22 41.72 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -55.86 -35.76 94.4 Favored 'Trans proline' 0 CA--C 1.552 1.404 0 N-CA-C 118.424 2.432 . . . . 25.0 118.424 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.05 -28.92 28.08 Favored 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 112.519 -4.52 . . . . 25.0 115.817 178.016 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -75.49 -35.58 60.78 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.204 . . . . 25.0 108.324 175.344 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.17 77.24 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.203 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.29 -31.37 69.06 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.205 0.911 . . . . 25.0 111.384 -177.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.23 96.87 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.092 0.472 . . . . 25.0 110.743 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.75 -44.13 67.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.604 -0.726 . . . . 25.0 110.506 178.174 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.36 -29.7 70.96 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.781 0.801 . . . . 25.0 110.213 -175.715 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.41 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . 15.4 t -76.31 -18.7 58.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.984 -1.007 . . . . 25.0 112.315 -178.114 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.78 -23.68 18.84 Favored Glycine 0 C--O 1.23 -0.143 0 N-CA-C 114.873 0.709 . . . . 25.0 114.873 174.667 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 29.3 t0 -68.83 114.66 7.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.989 0.423 . . . . 25.0 111.764 -178.052 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.74 -34.99 79.12 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.81 -51.69 68.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.563 -178.698 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HG2' ' HB3' ' A' ' 53' ' ' ASP . 15.2 ptmt -67.03 -35.44 79.9 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 119.866 -0.734 . . . . 25.0 110.731 178.577 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.82 -50.27 72.96 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 120.586 -0.446 . . . . 25.0 110.767 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -62.44 -43.0 99.87 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.067 0.547 . . . . 25.0 111.788 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -62.78 -45.31 93.25 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 116.247 -0.433 . . . . 25.0 110.228 -178.717 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.38 -32.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -57.24 -47.56 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.924 -0.485 . . . . 25.0 111.861 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.57 -34.36 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.048 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.76 -43.39 98.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 25.0 108.989 176.079 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.99 -33.46 74.67 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 115.723 -0.672 . . . . 25.0 111.086 178.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -66.71 -38.65 87.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.758 0.708 . . . . 25.0 110.196 176.385 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -64.97 -39.16 93.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.191 -0.318 . . . . 25.0 110.893 178.629 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.98 -36.54 59.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.578 0.704 . . . . 25.0 110.561 179.356 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -59.25 -43.41 92.45 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 176.673 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.68 -30.71 44.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.992 0.367 . . . . 25.0 111.992 -176.71 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -70.4 -49.59 47.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.814 0.34 . . . . 25.0 110.761 178.597 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -81.19 -27.39 35.38 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.621 1.341 . . . . 25.0 114.621 -175.804 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -64.07 -27.58 69.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 120.661 0.267 . . . . 25.0 110.391 -176.35 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -54.45 -36.57 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.211 175.12 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.87 -36.45 36.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.911 0.386 . . . . 25.0 111.253 175.916 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -67.77 -34.6 77.12 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -174.129 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.5 pt -68.2 -15.23 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.772 -0.371 . . . . 25.0 111.787 178.327 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -82.97 -30.17 28.47 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.65 0.982 . . . . 25.0 113.65 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.9 tp -158.63 151.15 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -171.263 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 64.1 -167.6 0.21 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.815 1.646 . . . . 25.0 112.577 -177.594 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -143.54 161.08 39.39 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 103.195 -2.891 . . . . 25.0 103.195 178.831 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.68 38.16 0.19 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 -176.12 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.43 148.97 38.71 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 115.067 -0.969 . . . . 25.0 111.717 -167.227 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.4 164.23 24.12 Favored 'Trans proline' 0 C--N 1.351 0.682 0 O-C-N 121.738 0.336 . . . . 25.0 112.041 178.737 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -119.36 14.0 12.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.969 0.89 . . . . 25.0 109.34 178.94 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.35 35.79 0.18 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.289 -0.869 . . . . 25.0 112.297 -177.736 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.1 mt -70.45 -32.76 70.46 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.46 -19.28 62.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.614 -0.721 . . . . 25.0 111.426 176.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.58 -0.07 45.2 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 -177.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -91.12 132.81 35.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.188 0.518 . . . . 25.0 111.348 -178.212 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.31 165.14 26.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.947 -0.76 . . . . 25.0 108.947 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -81.94 159.26 23.64 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.739 -0.838 . . . . 25.0 108.739 177.67 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.9 mt -119.14 101.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.797 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -139.0 143.81 38.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 104.826 -2.287 . . . . 25.0 104.826 176.472 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -148.88 155.94 41.59 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 107.549 -1.278 . . . . 25.0 107.549 -178.857 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -128.26 -134.92 0.23 Allowed 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 174.395 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.9 mt 45.32 41.77 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.608 1.163 . . . . 25.0 109.983 -177.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -76.72 43.81 0.35 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 122.439 1.114 . . . . 25.0 113.929 -173.61 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 C--O 1.212 -0.898 0 CA-C-O 123.231 1.491 . . . . 25.0 112.077 177.428 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 125.265 2.459 . . . . 25.0 112.444 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -131.32 73.24 1.53 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 112.823 -1.989 . . . . 25.0 109.238 -179.371 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -127.57 170.01 13.1 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 -178.327 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 63.82 25.44 14.07 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.626 0.77 . . . . 25.0 111.394 -178.924 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -79.51 120.62 24.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 176.709 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m 50.25 35.04 9.66 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.134 0.974 . . . . 25.0 111.564 -179.205 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 p -154.26 158.89 32.41 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 106.022 -1.844 . . . . 25.0 106.022 -177.008 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -74.71 179.0 6.42 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 117.315 -1.323 . . . . 25.0 112.568 -178.654 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.5 45.31 0.46 Allowed Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.383 -1.087 . . . . 25.0 110.383 -178.785 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.16 22.09 1.02 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -174.753 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -81.38 20.92 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.645 0 C-N-CA 125.526 1.53 . . . . 25.0 110.827 176.735 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.5 p -70.34 137.83 50.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.455 -172.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.9 t -156.02 159.79 39.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 -179.584 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.563 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 5.1 p -143.38 -43.97 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 113.943 1.09 . . . . 25.0 113.943 176.846 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.563 ' HD2' ' H ' ' A' ' 14' ' ' SER . 94.3 Cg_endo -72.17 -25.91 18.49 Favored 'Trans proline' 0 C--N 1.36 1.141 1 C-N-CA 112.693 -4.405 . . . . 25.0 114.378 -178.645 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.85 -25.1 65.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.4 0.619 . . . . 25.0 109.698 177.829 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.73 2.97 87.35 Favored Glycine 0 C--O 1.226 -0.384 0 CA-C-N 116.05 -0.523 . . . . 25.0 113.758 179.466 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.34 -37.63 71.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.522 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -84.51 -26.59 27.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.038 0.923 . . . . 25.0 109.421 179.419 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -118.42 77.4 13.62 Favored Pre-proline 0 C--O 1.241 0.623 0 CA-C-N 115.34 -0.846 . . . . 25.0 113.115 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.697 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.7 Cg_endo -61.81 -31.32 85.35 Favored 'Trans proline' 0 C--O 1.215 -0.64 0 O-C-N 121.675 0.303 . . . . 25.0 112.104 174.442 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.41 93.17 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.391 -0.193 . . . . 25.0 110.829 -179.226 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.68 -38.41 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.086 -0.339 . . . . 25.0 110.086 -177.818 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.8 -40.95 92.42 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.967 -0.293 . . . . 25.0 110.507 179.363 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.24 -44.68 92.34 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 176.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -43.55 93.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.089 -0.505 . . . . 25.0 112.357 -177.305 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.02 -43.48 98.59 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.996 0.426 . . . . 25.0 110.998 176.726 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.23 -40.24 93.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.259 -0.428 . . . . 25.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.38 -33.34 75.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.94 0.4 . . . . 25.0 110.62 178.325 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.0 -16.38 47.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -113.35 107.38 53.63 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.32 0.859 . . . . 25.0 113.32 -171.436 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.83 -30.5 40.52 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 N-CA-C 116.537 1.706 . . . . 25.0 116.537 -174.98 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -76.08 -37.39 58.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.643 1.211 . . . . 25.0 110.369 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.34 58.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.184 -0.917 . . . . 25.0 109.588 -174.812 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -30.5 61.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.346 -0.388 . . . . 25.0 111.221 175.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.4 p -74.76 -40.25 61.32 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 122.259 -0.275 . . . . 25.0 111.268 -179.15 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.22 -31.76 73.08 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.094 0.949 . . . . 25.0 109.444 176.582 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.19 -43.95 80.87 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.736 -1.12 . . . . 25.0 112.121 -177.714 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.2 -29.56 68.44 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.087 -0.645 . . . . 25.0 111.427 175.432 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.36 -51.93 13.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -91.89 -23.69 19.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.812 1.782 . . . . 25.0 115.812 -174.747 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -135.97 66.3 61.07 Favored Pre-proline 0 N--CA 1.482 1.168 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 177.651 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.37 -35.18 83.5 Favored 'Trans proline' 0 CA--C 1.555 1.532 0 N-CA-C 118.912 2.62 . . . . 25.0 118.912 -178.336 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.17 -31.85 22.28 Favored 'Trans proline' 0 C--N 1.361 1.214 1 C-N-CA 112.653 -4.432 . . . . 25.0 115.728 178.16 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -75.45 -31.34 60.27 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 175.578 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -63.99 -49.38 72.69 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.658 -0.687 . . . . 25.0 112.641 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -32.14 70.27 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.153 0.888 . . . . 25.0 110.888 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.69 -43.99 97.39 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.634 -0.712 . . . . 25.0 112.268 174.569 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.99 -43.38 87.94 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.315 -0.857 . . . . 25.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 16.3 mt -63.41 -32.41 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.307 0.575 . . . . 25.0 110.668 -174.728 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.8 m -70.31 -24.61 63.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.529 -0.759 . . . . 25.0 111.88 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.31 -15.63 38.77 Favored Glycine 0 CA--C 1.518 0.225 0 CA-C-N 116.312 -0.403 . . . . 25.0 112.224 -177.816 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 50.0 t0 -65.94 113.63 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 25.0 110.95 -179.596 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -65.7 -36.3 83.24 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 177.183 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.83 -52.04 67.13 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.894 -0.504 . . . . 25.0 110.866 -177.436 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.0 ptmt -66.21 -36.5 83.2 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.727 -0.654 . . . . 25.0 109.378 179.736 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 57.5 t80 -61.61 -52.08 65.84 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 118.383 0.538 . . . . 25.0 112.145 176.274 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.4 t -63.63 -38.45 91.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.157 0.503 . . . . 25.0 112.054 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -48.58 72.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.695 -0.483 . . . . 25.0 109.695 -178.596 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.26 33.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 -178.48 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.9 tp -59.83 -47.72 84.56 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.782 -0.574 . . . . 25.0 111.206 178.858 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.19 -34.08 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.253 -0.579 . . . . 25.0 110.886 -178.821 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.41 -41.53 98.73 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 175.54 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -64.46 -38.75 92.11 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-O 119.275 -0.393 . . . . 25.0 110.751 176.044 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.61 -42.18 98.51 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.897 0.771 . . . . 25.0 110.615 178.163 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -64.15 -38.77 92.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.095 0.474 . . . . 25.0 110.73 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -75.55 -35.19 60.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.79 0.805 . . . . 25.0 111.324 -179.421 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -63.04 -41.34 99.48 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-N 116.054 -0.521 . . . . 25.0 110.392 178.957 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.56 -30.9 61.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.585 0.553 . . . . 25.0 111.941 -178.376 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -66.74 -49.55 65.62 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 121.011 0.434 . . . . 25.0 111.402 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -79.75 -26.53 40.72 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -177.728 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -30.62 45.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -57.29 -36.52 71.16 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.271 0.558 . . . . 25.0 111.628 177.692 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.19 -36.14 61.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.706 0.765 . . . . 25.0 109.938 177.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -68.86 -37.55 79.16 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 112.825 0.676 . . . . 25.0 112.825 -176.78 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.5 pt -71.9 -18.72 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.563 179.065 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -24.33 54.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.552 0.215 . . . . 25.0 110.54 176.795 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.38 169.42 17.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.228 -0.295 . . . . 25.0 111.347 -177.294 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 55.51 -146.77 0.55 Allowed 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 107.648 -1.242 . . . . 25.0 107.648 -174.119 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 m 52.45 47.22 25.17 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.07 0.85 . . . . 25.0 111.552 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 78.1 14.96 1.47 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.529 1.931 . . . . 25.0 115.737 -178.278 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.85 166.33 12.1 Favored Pre-proline 0 C--O 1.245 0.84 0 N-CA-C 103.316 -2.846 . . . . 25.0 103.316 164.603 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.78 164.25 32.18 Favored 'Trans proline' 0 C--N 1.349 0.605 0 N-CA-C 115.909 1.465 . . . . 25.0 115.909 -173.731 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -110.74 -4.6 15.25 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 123.467 1.603 . . . . 25.0 111.485 -177.199 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -102.13 41.93 1.18 Allowed 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 112.188 -2.278 . . . . 25.0 107.601 -176.395 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -34.25 74.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.726 -1.124 . . . . 25.0 111.889 179.301 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -84.53 -51.06 7.17 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.765 -0.374 . . . . 25.0 110.559 176.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.18 6.77 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 118.715 2.857 . . . . 25.0 118.715 178.283 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.82 9.91 28.31 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 114.402 1.26 . . . . 25.0 114.402 -175.551 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 49.02 103.26 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 113.356 -1.747 . . . . 25.0 115.011 -177.604 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -67.52 150.46 48.82 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.498 -1.228 . . . . 25.0 111.893 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.8 mt -129.24 121.49 53.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 102.899 -3.0 . . . . 25.0 102.899 174.241 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -134.09 166.43 22.77 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 -176.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -123.09 153.14 40.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 176.887 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -124.26 68.89 1.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 178.072 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.6 mm -83.99 54.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.558 1.171 . . . . 25.0 108.25 -178.48 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -82.96 45.56 1.02 Allowed 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 122.723 1.249 . . . . 25.0 108.286 175.967 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 123.984 1.849 . . . . 25.0 111.576 -179.101 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.597 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.9 Cg_endo . . . . . 0 C--O 1.219 -0.433 0 N-CA-C 113.175 0.413 . . . . 25.0 113.175 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.92 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.868 0.366 . . . . 25.0 110.192 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.49 -39.29 67.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.688 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.77 -42.23 91.1 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.76 -0.376 . . . . 25.0 110.508 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.33 -43.85 88.42 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 108.46 -0.941 . . . . 25.0 108.46 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -46.63 85.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.638 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.65 -42.98 99.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.804 0.335 . . . . 25.0 110.999 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' A' ' 34' ' ' GLU . 12.7 mt -64.01 -42.65 97.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.337 -178.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.92 -35.12 79.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.913 0.387 . . . . 25.0 110.071 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -10.98 59.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -116.79 101.9 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -66.49 -24.74 48.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.646 1.364 . . . . 25.0 115.646 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.04 -43.35 44.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.731 0.777 . . . . 25.0 110.455 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HB3' HD23 ' A' ' 28' ' ' LEU . 4.9 mm-40 -70.9 -41.08 71.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.451 -0.795 . . . . 25.0 108.88 -174.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -30.3 71.26 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.916 -0.49 . . . . 25.0 110.872 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -74.67 -41.03 61.04 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.869 0.468 . . . . 25.0 111.412 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -33.73 74.38 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.2 tp -64.68 -44.23 90.99 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.366 -0.834 . . . . 25.0 112.048 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.02 -26.24 64.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.925 -0.71 . . . . 25.0 112.596 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.67 -51.89 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.242 0.544 . . . . 25.0 110.863 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -82.37 -34.09 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.75 1.389 . . . . 25.0 114.75 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -135.19 69.05 69.72 Favored Pre-proline 0 C--O 1.243 0.715 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -55.4 -35.8 92.6 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 N-CA-C 118.394 2.421 . . . . 25.0 118.394 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.22 -29.37 26.57 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.5 -4.534 . . . . 25.0 115.84 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.9 tp -75.51 -35.44 60.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 120.658 -1.276 . . . . 25.0 108.09 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.67 82.49 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 115.604 -0.725 . . . . 25.0 112.75 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -61.46 -31.29 71.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.929 0.786 . . . . 25.0 110.974 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.23 90.32 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.369 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.48 -42.46 74.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.362 -0.381 . . . . 25.0 110.507 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.76 -27.27 69.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.555 0.693 . . . . 25.0 110.343 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -78.19 -17.53 56.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.05 -0.977 . . . . 25.0 112.353 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.03 -31.82 4.24 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 114.757 0.663 . . . . 25.0 114.757 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -58.43 109.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.783 0.833 . . . . 25.0 112.466 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.42 -36.66 83.08 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.83 -44.07 86.21 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.776 -0.578 . . . . 25.0 112.307 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.22 -34.55 61.48 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.668 -0.645 . . . . 25.0 110.1 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.8 -49.88 75.72 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.555 -0.458 . . . . 25.0 110.004 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -62.92 -43.52 98.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.72 -47.7 83.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.318 . . . . 25.0 110.18 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.03 -32.6 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 21' ' ' PRO . 3.1 tp -57.12 -44.57 83.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.872 -0.517 . . . . 25.0 110.493 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.5 t -68.13 -43.16 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 120.655 0.264 . . . . 25.0 110.514 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 . . . . . 0 N--CA 1.47 0.57 0 CA-C-O 121.276 0.56 . . . . 25.0 110.185 178.897 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.581 ' HB3' HD22 ' A' ' 61' ' ' LEU . 39.4 Cg_endo . . . . . 0 C--O 1.219 -0.468 0 CA-C-O 121.111 0.379 . . . . 25.0 112.007 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.02 99.74 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.007 -0.433 . . . . 25.0 110.547 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.32 -34.46 48.59 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.459 -0.337 . . . . 25.0 111.244 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.23 -40.18 93.7 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.53 -41.86 90.97 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -66.56 -46.26 76.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 25.0 111.069 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.1 ttp -62.56 -41.17 98.74 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.739 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.1 -42.37 94.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.697 0.284 . . . . 25.0 111.452 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.85 -36.42 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 25.0 110.439 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.98 60.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.396 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -114.14 99.1 50.06 Favored Pre-proline 0 C--O 1.238 0.452 0 N-CA-C 112.478 0.548 . . . . 25.0 112.478 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.92 -26.47 59.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 N-CA-C 115.583 1.34 . . . . 25.0 115.583 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -77.02 -40.65 45.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.863 0.839 . . . . 25.0 110.946 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.82 -34.06 69.02 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.701 0.763 . . . . 25.0 109.271 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 -30.77 61.63 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.593 -0.692 . . . . 25.0 111.221 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.1 p -75.78 -39.5 56.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.154 -0.341 . . . . 25.0 111.783 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.96 -31.57 72.23 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -66.43 -43.23 86.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.409 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.95 -26.79 65.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.236 -0.586 . . . . 25.0 111.668 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.52 -52.97 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.175 0.512 . . . . 25.0 111.584 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -90.28 -24.65 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.775 1.768 . . . . 25.0 115.775 -170.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.89 67.21 41.68 Favored Pre-proline 0 C--O 1.241 0.618 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -56.31 -33.65 91.92 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 N-CA-C 118.362 2.409 . . . . 25.0 118.362 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -68.4 -29.44 31.38 Favored 'Trans proline' 0 C--N 1.363 1.321 1 C-N-CA 112.049 -4.834 . . . . 25.0 115.203 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -76.98 -36.0 56.77 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.963 -1.086 . . . . 25.0 108.545 175.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.32 73.93 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 120.097 -0.641 . . . . 25.0 112.231 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.68 -30.77 67.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.732 0.696 . . . . 25.0 111.199 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -65.39 -39.79 92.66 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.655 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.21 -45.94 65.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.838 -0.619 . . . . 25.0 110.168 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.96 -30.45 71.53 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 121.907 0.86 . . . . 25.0 110.266 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 t -73.53 -18.95 61.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.024 -0.989 . . . . 25.0 112.327 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.33 -20.72 15.83 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 113.993 0.357 . . . . 25.0 113.993 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -70.66 112.12 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.145 0.497 . . . . 25.0 111.701 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.75 -34.4 77.13 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.35 -52.02 66.13 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.557 0.694 . . . . 25.0 110.178 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -69.88 -34.88 74.15 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.817 -0.753 . . . . 25.0 110.666 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.459 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 81.0 t80 -61.87 -50.62 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.164 0.438 . . . . 25.0 111.196 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -61.67 -42.6 99.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.797 0.439 . . . . 25.0 111.577 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.66 -49.05 79.08 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.661 -0.649 . . . . 25.0 110.045 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.19 -32.2 54.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.9 tp -57.93 -43.69 86.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.727 -0.389 . . . . 25.0 111.208 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.82 -42.32 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.993 0.425 . . . . 25.0 110.393 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.604 0.716 . . . . 25.0 109.269 179.811 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.638 ' HB3' HD22 ' A' ' 61' ' ' LEU . 22.2 Cg_endo . . . . . 0 C--O 1.215 -0.63 0 N-CA-C 113.383 0.493 . . . . 25.0 113.383 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.82 89.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.198 -0.314 . . . . 25.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -38.94 66.43 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.857 -0.423 . . . . 25.0 109.857 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.56 -42.56 95.59 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.896 -0.322 . . . . 25.0 110.333 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -58.26 -44.99 88.61 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.7 -45.23 93.71 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.005 0.431 . . . . 25.0 111.155 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.1 ttp -64.24 -41.66 96.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.181 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.1 -40.68 90.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.763 0.316 . . . . 25.0 111.602 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.73 -36.23 82.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 25.0 109.872 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.79 -17.13 51.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -105.96 101.91 36.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 112.592 0.59 . . . . 25.0 112.592 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.96 -26.9 43.38 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 N-CA-C 115.409 1.273 . . . . 25.0 115.409 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -76.14 -43.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.612 -0.68 . . . . 25.0 110.932 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.55 -39.84 70.41 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.152 -0.684 . . . . 25.0 109.152 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -30.27 71.34 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.745 -0.597 . . . . 25.0 110.931 177.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -74.75 -41.05 60.83 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.084 0.554 . . . . 25.0 111.885 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.02 -33.79 75.27 Favored 'General case' 0 CA--C 1.479 -1.782 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.48 -46.21 87.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.314 -0.857 . . . . 25.0 111.954 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.47 -27.23 65.96 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 120.026 -0.67 . . . . 25.0 112.407 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -76.39 -47.58 22.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.621 0.6 . . . . 25.0 112.621 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.72 -33.46 16.58 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.749 1.388 . . . . 25.0 114.749 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -133.87 69.84 75.19 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.72 -37.03 91.77 Favored 'Trans proline' 0 CA--C 1.551 1.371 0 N-CA-C 118.533 2.474 . . . . 25.0 118.533 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.63 -29.64 24.18 Favored 'Trans proline' 0 C--N 1.361 1.222 1 C-N-CA 112.511 -4.526 . . . . 25.0 116.096 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.43 -33.46 60.91 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.707 -1.245 . . . . 25.0 107.943 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.09 -49.45 72.2 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 118.817 -0.611 . . . . 25.0 112.477 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.68 -32.51 70.56 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.812 0.733 . . . . 25.0 110.698 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.5 -45.25 93.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.886 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.43 -42.1 92.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.745 . . . . 25.0 110.081 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.3 mt -63.17 -29.92 71.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.267 0.556 . . . . 25.0 110.698 -174.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.8 m -74.47 -21.8 59.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.362 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.64 -17.2 31.66 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-O 121.144 0.302 . . . . 25.0 112.971 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 46.3 t0 -64.84 115.27 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 25.0 111.652 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.72 -36.46 82.52 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.851 -0.426 . . . . 25.0 109.851 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.68 -50.63 73.12 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.841 -0.537 . . . . 25.0 111.285 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.1 ptmt -67.71 -36.77 81.24 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.45 -50.75 66.3 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -63.6 -39.65 94.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.197 0.523 . . . . 25.0 110.95 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -49.6 65.77 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.2 -29.45 45.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 21' ' ' PRO . 3.7 tp -58.11 -43.9 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 122.152 -0.342 . . . . 25.0 110.382 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.35 -42.76 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.909 -0.404 . . . . 25.0 109.909 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.714 0.769 . . . . 25.0 109.331 178.799 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.667 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.8 Cg_endo . . . . . 0 C--O 1.216 -0.61 0 N-CA-C 113.377 0.491 . . . . 25.0 113.377 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.01 95.47 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.955 -0.298 . . . . 25.0 110.581 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -77.83 -34.48 51.92 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.673 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -66.1 -41.33 90.77 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.419 -0.513 . . . . 25.0 110.242 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -59.17 -42.86 91.78 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -45.53 86.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.79 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.89 -48.25 82.47 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.033 0.444 . . . . 25.0 110.292 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 34' ' ' GLU . 37.5 mt -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.55 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.26 -34.71 78.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.808 0.337 . . . . 25.0 110.518 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.01 -8.19 59.59 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -119.38 99.29 50.27 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.28 -24.71 57.77 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 N-CA-C 115.345 1.248 . . . . 25.0 115.345 -176.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -76.49 -42.65 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.618 0.723 . . . . 25.0 110.788 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB3' HD23 ' A' ' 28' ' ' LEU . 7.6 mm-40 -72.14 -37.94 69.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 25.0 109.466 -174.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -29.33 68.7 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.969 -0.457 . . . . 25.0 110.221 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -73.29 -45.93 52.68 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.678 0.391 . . . . 25.0 111.089 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -63.8 -29.92 71.07 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.087 -1.008 . . . . 25.0 110.318 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.67 -43.43 80.22 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 114.59 -1.186 . . . . 25.0 112.619 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -70.37 -28.22 64.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 119.677 -0.809 . . . . 25.0 111.217 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -72.87 -52.03 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.032 0.444 . . . . 25.0 111.116 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -90.39 -25.97 20.13 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.159 1.911 . . . . 25.0 116.159 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -136.87 68.72 58.24 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 113.411 0.893 . . . . 25.0 113.411 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.29 -35.37 91.22 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.604 2.502 . . . . 25.0 118.604 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.86 -28.86 29.27 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.411 -4.593 . . . . 25.0 115.681 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -75.68 -34.4 60.43 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.205 . . . . 25.0 108.174 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.9 78.55 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 112.917 0.71 . . . . 25.0 112.917 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.8 -31.39 69.65 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.952 0.797 . . . . 25.0 111.045 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.441 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.48 -38.7 91.93 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.616 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.1 tp -68.17 -42.51 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.172 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.82 -27.97 69.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 25.0 111.154 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 m -75.22 -20.44 59.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.727 -0.669 . . . . 25.0 112.21 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.5 -29.34 4.47 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-O 121.192 0.329 . . . . 25.0 112.601 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -55.21 102.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.729 1.212 . . . . 25.0 112.103 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.28 -35.35 77.08 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.2 -44.98 88.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.361 0.504 . . . . 25.0 112.361 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -76.74 -31.91 57.43 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 119.05 0.841 . . . . 25.0 110.299 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.434 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 82.6 t80 -60.31 -51.72 68.33 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.301 176.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -63.3 -38.97 93.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.867 0.365 . . . . 25.0 111.556 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -61.01 -49.03 79.07 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 110.368 -0.234 . . . . 25.0 110.368 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.92 -34.31 63.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 121.488 -0.757 . . . . 25.0 108.968 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.3 tp -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.086 -0.384 . . . . 25.0 111.186 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -74.4 -35.05 38.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 C-N-CA 120.436 -0.506 . . . . 25.0 111.199 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 . . . . . 0 N--CA 1.474 0.756 0 O-C-N 121.54 -0.725 . . . . 25.0 109.896 176.334 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.6 Cg_endo . . . . . 0 C--O 1.22 -0.388 0 N-CA-C 112.471 0.143 . . . . 25.0 112.471 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.47 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.245 -0.279 . . . . 25.0 110.245 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.17 -41.05 67.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 25.0 110.661 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 61' ' ' LEU . 10.8 tp -65.97 -40.26 91.1 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.362 -0.535 . . . . 25.0 110.669 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.94 -44.04 91.33 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.71 -45.59 82.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.004 0.43 . . . . 25.0 111.39 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.9 ttp -62.11 -40.7 96.77 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 121.0 0.428 . . . . 25.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.8 -43.66 95.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.951 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -64.45 -35.92 82.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 25.0 109.875 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.54 -14.57 59.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -110.28 99.02 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.936 0.398 . . . . 25.0 112.023 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.9 -23.97 54.13 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 115.086 1.149 . . . . 25.0 115.086 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -76.93 -44.42 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.266 0.555 . . . . 25.0 111.183 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.64 -41.41 72.19 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -28.75 70.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.631 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -75.15 -44.04 49.05 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.984 0.514 . . . . 25.0 111.016 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.8 -30.04 68.52 Favored 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 121.843 0.83 . . . . 25.0 109.185 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.4 tp -65.17 -45.26 85.63 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.703 -1.135 . . . . 25.0 111.543 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.1 -26.07 63.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 119.854 -0.738 . . . . 25.0 112.072 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.79 -52.14 12.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.208 0.528 . . . . 25.0 111.252 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -95.04 -21.35 18.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.179 1.918 . . . . 25.0 116.179 -171.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -135.88 65.6 59.92 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -55.75 -34.82 92.13 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 118.528 2.472 . . . . 25.0 118.528 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.04 -31.75 29.64 Favored 'Trans proline' 0 C--N 1.362 1.28 1 C-N-CA 112.722 -4.385 . . . . 25.0 115.467 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -76.0 -34.7 59.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 120.876 -1.14 . . . . 25.0 108.53 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.51 77.16 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.56 -31.42 70.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.749 0.704 . . . . 25.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.96 -40.05 94.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.48 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.12 -41.84 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.408 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.19 -28.18 69.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.096 0.474 . . . . 25.0 111.044 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -75.93 -19.69 58.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.445 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.38 -30.92 3.93 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 122.183 -0.323 . . . . 25.0 113.413 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -55.81 104.6 0.14 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.432 1.093 . . . . 25.0 112.54 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.43 -33.32 73.52 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.48 -52.51 61.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.081 0.467 . . . . 25.0 111.587 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.78 -34.02 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.401 -0.52 . . . . 25.0 110.626 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.69 -50.5 73.6 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.771 -0.372 . . . . 25.0 110.397 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.2 t -62.27 -44.83 95.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.9 -46.06 88.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.07 -0.394 . . . . 25.0 110.699 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.6 t -72.11 -32.48 43.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -57.99 -45.03 87.43 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 122.229 -0.294 . . . . 25.0 110.343 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.01 -42.92 89.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 25.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 . . . . . 0 C--N 1.321 -0.668 0 O-C-N 121.697 -0.627 . . . . 25.0 110.82 178.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.545 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.4 Cg_endo . . . . . 0 C--O 1.213 -0.754 0 N-CA-C 112.626 0.202 . . . . 25.0 112.626 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.49 89.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.486 0.184 . . . . 25.0 110.938 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.46 -40.09 67.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.861 0.362 . . . . 25.0 110.647 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.28 -40.35 90.01 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.814 -0.355 . . . . 25.0 110.882 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.14 -44.47 92.06 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -43.88 92.79 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.919 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.5 ttp -62.59 -43.83 97.84 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.75 0.31 . . . . 25.0 110.963 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.64 -42.3 98.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.778 0.323 . . . . 25.0 111.725 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.44 -35.76 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.061 0.458 . . . . 25.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -11.78 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.52 102.11 54.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 O-C-N 121.888 -0.507 . . . . 25.0 112.24 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -65.92 -25.67 52.2 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 115.245 1.21 . . . . 25.0 115.245 -176.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -76.09 -41.71 49.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.68 -0.638 . . . . 25.0 110.333 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.96 67.61 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.812 -0.811 . . . . 25.0 108.812 -174.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -30.33 71.52 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.42 -0.8 . . . . 25.0 111.045 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -74.73 -41.39 60.23 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 122.812 0.445 . . . . 25.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.77 -33.84 76.52 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 108.126 -1.065 . . . . 25.0 108.126 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.94 -43.9 91.23 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.894 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.43 -28.37 67.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.891 -0.724 . . . . 25.0 111.639 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -77.04 -51.88 10.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.201 0.524 . . . . 25.0 112.021 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.69 -34.32 46.23 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.187 1.18 . . . . 25.0 114.187 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -139.88 70.46 36.16 Favored Pre-proline 0 N--CA 1.474 0.734 0 N-CA-C 114.448 1.277 . . . . 25.0 114.448 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.41 -37.03 89.29 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 N-CA-C 118.451 2.443 . . . . 25.0 118.451 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.24 -28.37 23.01 Favored 'Trans proline' 0 C--N 1.36 1.152 1 C-N-CA 112.588 -4.474 . . . . 25.0 116.081 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.42 -32.4 60.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.633 -1.292 . . . . 25.0 107.838 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.93 -49.45 70.36 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-O 118.849 -0.596 . . . . 25.0 112.456 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.2 -31.92 70.61 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.14 0.882 . . . . 25.0 110.936 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.458 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.49 -44.69 93.62 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.859 -0.609 . . . . 25.0 111.515 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.26 -42.57 93.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.424 -0.807 . . . . 25.0 110.381 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.9 mt -62.33 -30.7 71.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.489 0.662 . . . . 25.0 110.716 -174.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.43 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 50.8 m -75.46 -22.58 57.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.389 -0.823 . . . . 25.0 112.528 -178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.15 -17.27 38.52 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 116.71 -0.223 . . . . 25.0 113.542 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.03 116.94 6.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.861 0.362 . . . . 25.0 111.201 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.25 -36.73 82.22 Favored 'General case' 0 C--O 1.21 -0.981 0 C-N-CA 120.415 -0.514 . . . . 25.0 109.808 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.7 -53.09 62.32 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.882 -0.511 . . . . 25.0 111.137 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.0 ptmt -63.88 -37.74 88.5 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.624 -0.703 . . . . 25.0 109.296 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -64.8 -50.49 66.56 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.8 t -62.08 -39.87 93.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.422 0.629 . . . . 25.0 111.509 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.4 -47.2 74.05 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.101 -0.5 . . . . 25.0 109.758 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.84 -30.6 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.644 -0.872 . . . . 25.0 108.644 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.6 tp -58.25 -47.87 82.18 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.102 -0.374 . . . . 25.0 111.824 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.06 -35.29 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.134 -0.626 . . . . 25.0 110.673 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 121.679 0.752 . . . . 25.0 109.169 177.839 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.544 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.5 Cg_endo . . . . . 0 C--O 1.216 -0.578 0 CA-C-O 120.37 0.071 . . . . 25.0 112.187 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.95 99.31 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.265 -0.272 . . . . 25.0 111.578 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -77.67 -37.75 49.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.271 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.3 tp -66.89 -41.12 87.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.161 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -54.48 -45.55 73.23 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.684 -0.488 . . . . 25.0 109.684 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.08 -42.66 84.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.024 0.44 . . . . 25.0 111.767 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.31 -49.01 79.29 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.512 0.672 . . . . 25.0 110.302 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.99 -42.1 97.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.137 -0.938 . . . . 25.0 112.065 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.76 -36.49 84.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.145 0.498 . . . . 25.0 110.394 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.38 -10.24 59.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.043 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -115.87 96.32 46.47 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.35 -25.36 64.01 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 N-CA-C 115.218 1.199 . . . . 25.0 115.218 -176.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.06 -42.28 48.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.465 0.65 . . . . 25.0 110.673 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.75 -40.85 69.08 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -30.22 71.3 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.056 -0.402 . . . . 25.0 110.813 178.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 t -72.73 -44.03 62.19 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 122.53 0.332 . . . . 25.0 110.958 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.96 -30.11 70.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 122.035 0.922 . . . . 25.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -67.15 -43.02 83.36 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.897 -1.047 . . . . 25.0 112.219 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.09 -27.16 65.35 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 119.869 -0.733 . . . . 25.0 111.774 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -74.87 -51.85 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.993 0.425 . . . . 25.0 111.449 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -87.56 -26.46 23.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.487 1.662 . . . . 25.0 115.487 -174.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -139.16 67.32 39.84 Favored Pre-proline 0 N--CA 1.474 0.735 0 N-CA-C 113.24 0.83 . . . . 25.0 113.24 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.61 -35.85 87.7 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.366 2.41 . . . . 25.0 118.366 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -69.61 -30.0 23.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 112.105 -4.796 . . . . 25.0 115.842 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -75.46 -32.43 60.62 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.756 -1.215 . . . . 25.0 108.006 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.76 79.68 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.68 -31.45 70.7 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.277 0.944 . . . . 25.0 110.671 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.514 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -61.2 -44.16 97.73 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 115.54 -0.754 . . . . 25.0 111.091 174.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.41 -40.88 89.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.768 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.83 -28.82 70.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.233 0.54 . . . . 25.0 111.162 -175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.1 m -76.45 -22.89 54.01 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.953 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -21.62 23.08 Favored Glycine 0 C--O 1.236 0.241 0 CA-C-N 116.526 -0.307 . . . . 25.0 112.757 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.9 t0 -62.8 116.98 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 122.761 0.424 . . . . 25.0 112.0 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.46 -37.39 82.87 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -51.16 70.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.577 -0.449 . . . . 25.0 109.934 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.8 ptmt -65.23 -36.38 83.98 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.133 -0.627 . . . . 25.0 110.615 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 77.6 t80 -61.54 -50.75 71.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 118.535 0.607 . . . . 25.0 111.264 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -63.74 -43.86 95.22 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 122.555 0.342 . . . . 25.0 111.423 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.29 -44.09 95.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.087 -0.383 . . . . 25.0 110.664 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.44 -34.25 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.2 tp -58.67 -41.44 86.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.993 -0.442 . . . . 25.0 109.887 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.0 t -68.96 -44.02 81.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 110.282 -0.266 . . . . 25.0 110.282 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 C--N 1.319 -0.736 0 O-C-N 121.679 -0.638 . . . . 25.0 110.876 178.332 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.534 ' HB3' HD22 ' A' ' 61' ' ' LEU . 37.7 Cg_endo . . . . . 0 C--O 1.213 -0.751 0 N-CA-C 111.689 -0.158 . . . . 25.0 111.689 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.378 -0.201 . . . . 25.0 111.293 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.03 -38.76 43.9 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.188 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.23 -39.35 89.51 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 120.831 -0.348 . . . . 25.0 110.705 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -56.52 -45.59 81.04 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.43 -44.12 79.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.466 . . . . 25.0 111.622 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -59.27 -49.4 77.99 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.243 0.544 . . . . 25.0 110.281 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 34' ' ' GLU . 9.6 mt -58.83 -43.58 90.68 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.117 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.27 -34.69 78.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.74 -0.384 . . . . 25.0 110.935 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.91 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.201 -0.454 . . . . 25.0 112.097 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -108.54 101.33 42.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.45 -25.74 48.17 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 N-CA-C 115.667 1.372 . . . . 25.0 115.667 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -76.13 -44.55 37.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.547 0.689 . . . . 25.0 109.884 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HB3' HD23 ' A' ' 28' ' ' LEU . 7.6 mm-40 -70.04 -39.13 75.93 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 -174.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.35 70.39 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.829 -0.544 . . . . 25.0 111.091 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.7 -42.45 58.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.764 0.426 . . . . 25.0 111.702 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.14 -31.25 70.69 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.91 0.862 . . . . 25.0 109.299 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.2 -44.98 82.35 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 115.092 -0.958 . . . . 25.0 111.865 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -69.99 -26.07 63.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 119.891 -0.724 . . . . 25.0 112.365 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.6 -51.84 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.513 . . . . 25.0 110.52 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -95.91 -26.23 15.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 116.338 1.977 . . . . 25.0 116.338 -170.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -134.95 68.28 70.65 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.13 -35.9 91.77 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 N-CA-C 118.249 2.365 . . . . 25.0 118.249 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.1 -30.01 26.07 Favored 'Trans proline' 0 C--N 1.362 1.276 1 C-N-CA 112.237 -4.709 . . . . 25.0 115.821 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.51 -34.84 60.85 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 120.887 -1.133 . . . . 25.0 107.962 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.36 75.13 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.47 -31.49 71.46 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.054 0.843 . . . . 25.0 110.99 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.02 -40.56 96.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.32 175.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.19 -42.67 83.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.476 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.02 -28.75 70.01 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.084 0.469 . . . . 25.0 111.074 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -75.72 -18.23 59.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.449 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.44 -30.95 3.95 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 113.949 0.34 . . . . 25.0 113.949 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.5 110.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.918 0.866 . . . . 25.0 112.592 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.17 -37.29 86.93 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.92 -43.37 91.1 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.969 -0.692 . . . . 25.0 111.997 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 20.0 ptmt -73.43 -36.32 65.92 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.653 -0.654 . . . . 25.0 110.15 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.88 -51.46 69.63 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.463 -0.495 . . . . 25.0 109.989 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -62.49 -40.52 96.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.778 0.658 . . . . 25.0 112.778 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -46.81 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.94 -0.475 . . . . 25.0 110.034 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.3 t -70.79 -33.17 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.5 tp -55.29 -43.73 75.07 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.057 -0.402 . . . . 25.0 110.199 177.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.1 t -68.76 -43.23 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 122.158 -0.338 . . . . 25.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 . . . . . 0 C--N 1.322 -0.618 0 CA-C-O 121.213 0.53 . . . . 25.0 110.598 179.432 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.695 ' HB3' HD22 ' A' ' 61' ' ' LEU . 37.2 Cg_endo . . . . . 0 C--O 1.215 -0.656 0 N-CA-C 112.77 0.258 . . . . 25.0 112.77 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.32 93.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 111.379 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.5 mt -76.88 -39.34 51.34 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 110.112 -0.329 . . . . 25.0 110.112 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.85 -39.85 87.72 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.672 -0.411 . . . . 25.0 110.518 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -56.79 -46.19 81.7 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 109.273 -0.64 . . . . 25.0 109.273 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.3 -46.78 82.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.47 -0.332 . . . . 25.0 111.821 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.79 -41.3 97.56 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.715 0.293 . . . . 25.0 111.612 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.62 -42.48 95.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.628 -0.26 . . . . 25.0 111.059 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -63.89 -36.64 84.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.126 0.488 . . . . 25.0 110.121 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.38 -11.95 59.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.772 -0.649 . . . . 25.0 112.63 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 34' ' ' GLU . 24.5 t-20 -116.4 101.86 53.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 112.724 0.638 . . . . 25.0 112.724 -174.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.9 -26.5 51.68 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 N-CA-C 115.669 1.373 . . . . 25.0 115.669 -176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -76.12 -42.03 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.712 0.768 . . . . 25.0 110.815 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 40.6 mm-40 -71.57 -37.35 71.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.383 -0.826 . . . . 25.0 109.358 -175.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -28.88 67.25 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.759 -0.588 . . . . 25.0 110.327 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -74.0 -44.34 54.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.207 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.42 -31.5 72.63 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 122.163 0.982 . . . . 25.0 109.102 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.7 tp -66.72 -45.99 76.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.13 -26.18 63.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 120.227 -0.589 . . . . 25.0 112.203 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -73.69 -51.85 15.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.205 0.526 . . . . 25.0 110.744 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -98.25 -24.12 15.38 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.711 1.745 . . . . 25.0 115.711 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -134.76 65.91 67.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -54.66 -34.5 83.81 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 N-CA-C 118.821 2.585 . . . . 25.0 118.821 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.77 -34.08 25.51 Favored 'Trans proline' 0 C--N 1.362 1.268 1 C-N-CA 112.794 -4.338 . . . . 25.0 115.332 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -75.46 -32.76 60.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -62.24 -50.12 72.99 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.34 -32.21 69.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.108 0.867 . . . . 25.0 110.686 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -62.76 -44.47 96.11 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.94 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.64 -42.77 81.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.652 -0.703 . . . . 25.0 110.782 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.0 mt -62.98 -30.49 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.315 0.579 . . . . 25.0 110.938 -173.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.95 -22.95 60.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.617 -0.719 . . . . 25.0 112.329 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.56 -22.06 18.81 Favored Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.509 -0.314 . . . . 25.0 112.702 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.46 117.25 5.03 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.927 0.491 . . . . 25.0 112.006 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.36 -37.99 84.08 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.405 -0.518 . . . . 25.0 109.921 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.72 -52.57 64.93 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.673 -0.411 . . . . 25.0 110.374 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.4 ptmt -64.95 -34.98 79.72 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 120.499 -0.48 . . . . 25.0 110.16 178.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.509 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 77.3 t80 -63.86 -51.43 64.65 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 118.258 0.481 . . . . 25.0 111.311 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -64.99 -38.55 91.34 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 122.688 0.395 . . . . 25.0 111.886 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -62.84 -46.38 88.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.887 0.375 . . . . 25.0 110.356 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.68 -34.31 51.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.4 tp -58.37 -45.09 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.034 -0.416 . . . . 25.0 111.235 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 p -72.17 -37.48 59.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.841 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 . . . . . 0 N--CA 1.471 0.616 0 O-C-N 121.5 -0.75 . . . . 25.0 111.015 176.718 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.605 ' HB3' HD22 ' A' ' 61' ' ' LEU . 32.7 Cg_endo . . . . . 0 C--O 1.218 -0.479 0 CA-C-O 120.805 0.252 . . . . 25.0 112.044 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.45 98.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.94 -40.22 40.25 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.234 0.334 . . . . 25.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.03 -42.52 94.26 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.925 -0.31 . . . . 25.0 111.095 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.01 -44.74 83.87 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.218 -0.447 . . . . 25.0 111.463 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.09 -41.13 97.88 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.697 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.99 -44.26 93.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.475 -0.329 . . . . 25.0 111.826 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.3 -34.81 78.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.106 0.479 . . . . 25.0 109.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.28 -12.18 59.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.608 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.32 99.64 52.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.36 0.504 . . . . 25.0 112.36 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.11 -25.61 58.29 Favored 'Trans proline' 0 C--N 1.345 0.374 0 N-CA-C 115.368 1.257 . . . . 25.0 115.368 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -75.98 -42.4 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.724 -0.61 . . . . 25.0 110.925 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.65 -38.0 65.12 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -30.28 71.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.932 -0.48 . . . . 25.0 110.735 177.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.8 -42.84 57.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 25.0 110.84 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -33.19 75.28 Favored 'General case' 0 CA--C 1.483 -1.612 0 CA-C-O 121.667 0.746 . . . . 25.0 109.026 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.75 -44.76 84.97 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.734 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -68.37 -28.8 67.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 119.647 -0.821 . . . . 25.0 111.78 175.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -74.22 -51.84 14.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.539 0.685 . . . . 25.0 111.397 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -86.84 -28.93 22.6 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.755 1.391 . . . . 25.0 114.755 -174.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -137.4 68.2 53.87 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.46 -36.42 88.0 Favored 'Trans proline' 0 CA--C 1.553 1.453 0 N-CA-C 118.153 2.328 . . . . 25.0 118.153 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.24 -28.98 27.1 Favored 'Trans proline' 0 C--N 1.361 1.194 1 C-N-CA 112.765 -4.357 . . . . 25.0 116.222 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -75.46 -33.96 60.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.564 -1.335 . . . . 25.0 108.206 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.18 76.39 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 113.102 0.778 . . . . 25.0 113.102 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.12 -31.59 69.07 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.962 0.801 . . . . 25.0 111.094 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.68 91.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.008 0.432 . . . . 25.0 110.965 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.54 -40.84 89.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 25.0 109.919 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.78 -31.43 72.66 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.228 0.537 . . . . 25.0 110.668 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -74.26 -21.94 59.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.594 -0.73 . . . . 25.0 111.832 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.37 4.74 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 121.664 -0.303 . . . . 25.0 113.259 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 108.39 0.47 Allowed 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.894 1.33 . . . . 25.0 112.65 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.41 -32.3 73.1 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 114.76 -1.109 . . . . 25.0 108.627 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.0 -47.36 77.91 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.358 -0.537 . . . . 25.0 112.13 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -74.44 -34.33 63.16 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -61.93 -51.47 68.01 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 120.873 -0.331 . . . . 25.0 110.75 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -62.0 -39.21 91.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.896 0.379 . . . . 25.0 111.976 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -66.48 -49.7 65.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 25.0 110.053 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -70.08 -30.25 43.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -58.25 -46.21 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.07 -0.394 . . . . 25.0 110.951 176.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.87 -36.23 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.289 -0.564 . . . . 25.0 111.246 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 N--CA 1.471 0.581 0 O-C-N 121.596 -0.69 . . . . 25.0 110.233 176.768 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.9 Cg_endo . . . . . 0 C--O 1.215 -0.658 0 N-CA-C 113.064 0.371 . . . . 25.0 113.064 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.99 97.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.229 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.49 -40.38 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 25.0 110.492 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 61' ' ' LEU . 1.6 tp -64.53 -39.51 93.9 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.51 -0.476 . . . . 25.0 110.546 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -58.86 -43.94 90.92 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 176.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.87 -45.82 80.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.832 0.349 . . . . 25.0 111.367 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.6 ttp -59.77 -45.61 91.75 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.923 0.392 . . . . 25.0 110.866 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -62.61 -44.43 96.32 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.867 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -65.11 -33.87 77.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.923 0.392 . . . . 25.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.5 -12.11 59.88 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -114.86 99.94 52.76 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-O 120.868 0.366 . . . . 25.0 111.837 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.53 -25.67 55.07 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 115.414 1.275 . . . . 25.0 115.414 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -76.13 -43.15 44.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.386 0.613 . . . . 25.0 110.797 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.25 -38.27 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -30.27 70.46 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.955 -0.466 . . . . 25.0 110.66 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.65 -43.04 57.31 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.549 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.84 -31.58 72.29 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-O 121.868 0.842 . . . . 25.0 109.243 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.35 -46.44 76.76 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.918 -1.037 . . . . 25.0 111.775 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.56 -26.2 64.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 120.074 -0.651 . . . . 25.0 112.201 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.68 -51.88 17.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 25.0 110.69 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -101.65 -20.81 14.86 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 117.4 2.37 . . . . 25.0 117.4 -170.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -133.16 64.95 72.14 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -55.33 -33.53 85.54 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 N-CA-C 118.335 2.398 . . . . 25.0 118.335 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.85 -32.32 29.64 Favored 'Trans proline' 0 C--N 1.364 1.354 1 C-N-CA 112.344 -4.637 . . . . 25.0 115.236 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -75.52 -36.05 60.61 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 121.008 -1.057 . . . . 25.0 108.337 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -49.41 76.69 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.13 -31.47 70.09 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.889 0.768 . . . . 25.0 110.999 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.453 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -65.4 -38.39 89.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.805 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.0 -42.96 75.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.219 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.38 -31.18 72.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.255 0.55 . . . . 25.0 111.182 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -23.18 63.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.416 -0.811 . . . . 25.0 111.871 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.95 -28.14 4.66 Favored Glycine 0 N--CA 1.46 0.275 0 CA-C-O 121.405 0.447 . . . . 25.0 111.987 -177.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -57.67 101.79 0.08 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.776 1.23 . . . . 25.0 111.908 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.13 -35.41 80.18 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.492 -0.755 . . . . 25.0 110.602 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.02 70.16 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.43 -0.508 . . . . 25.0 111.15 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.4 ptmt -83.29 -36.69 24.29 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.73 -0.388 . . . . 25.0 110.189 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.439 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 86.8 t80 -58.3 -48.4 80.63 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.645 -0.422 . . . . 25.0 110.418 176.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.6 t -65.32 -40.65 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -60.49 -45.7 92.8 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.909 0.385 . . . . 25.0 110.448 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -73.91 -33.23 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.7 tp -57.12 -46.61 82.49 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.978 -0.451 . . . . 25.0 111.265 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.97 -36.19 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.905 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 . . . . . 0 C--N 1.323 -0.583 0 CA-C-O 121.553 0.692 . . . . 25.0 109.913 176.561 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.727 ' HB3' HD22 ' A' ' 61' ' ' LEU . 24.7 Cg_endo . . . . . 0 C--O 1.216 -0.618 0 N-CA-C 112.555 0.175 . . . . 25.0 112.555 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.23 91.24 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.379 -0.201 . . . . 25.0 111.231 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.99 -39.23 43.0 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 123.619 0.574 . . . . 25.0 110.725 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.15 -40.06 90.29 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.573 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -43.64 84.29 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 176.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.49 -46.99 77.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.826 -0.624 . . . . 25.0 111.445 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.26 -44.73 95.04 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 121.002 0.429 . . . . 25.0 111.019 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.3 -43.04 99.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.989 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -65.01 -35.14 80.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.729 -0.389 . . . . 25.0 110.432 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 -9.4 59.84 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.459 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -116.93 100.39 53.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.74 -0.6 . . . . 25.0 111.7 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.95 -25.27 59.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 N-CA-C 114.986 1.11 . . . . 25.0 114.986 -176.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -76.01 -45.62 33.61 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.877 -0.514 . . . . 25.0 109.742 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -38.64 81.06 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -30.46 70.33 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 121.517 -0.739 . . . . 25.0 111.643 178.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -35.08 56.8 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.671 0.389 . . . . 25.0 111.561 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -73.63 -33.8 64.7 Favored 'General case' 0 CA--C 1.48 -1.716 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -63.53 -42.73 98.4 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.752 -0.658 . . . . 25.0 112.75 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -66.33 -25.99 67.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 119.915 -0.714 . . . . 25.0 112.312 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -80.74 -51.86 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.018 0.437 . . . . 25.0 111.084 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -76.29 -35.46 58.85 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 -177.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -140.18 70.67 34.21 Favored Pre-proline 0 C--O 1.242 0.703 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.3 -37.69 88.52 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 117.992 2.266 . . . . 25.0 117.992 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.2 -28.92 27.38 Favored 'Trans proline' 0 C--N 1.36 1.158 1 C-N-CA 112.536 -4.509 . . . . 25.0 116.286 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -71.55 -36.98 71.15 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.465 -1.397 . . . . 25.0 107.853 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.11 78.42 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 115.258 -0.883 . . . . 25.0 112.702 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.32 -31.45 71.3 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.344 0.974 . . . . 25.0 111.092 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.95 -39.67 93.85 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.402 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.84 -42.57 85.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.546 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.08 -27.31 69.31 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.122 0.487 . . . . 25.0 111.138 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 m -74.85 -21.79 59.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.263 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.51 -27.48 6.35 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.554 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -58.42 102.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.372 1.069 . . . . 25.0 111.808 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.97 -35.19 77.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.911 -0.716 . . . . 25.0 112.132 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.32 -33.91 65.4 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.729 0.695 . . . . 25.0 110.477 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.73 -51.01 71.6 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.527 -0.469 . . . . 25.0 109.918 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -63.91 -39.91 95.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -61.27 -43.95 98.03 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 121.323 0.582 . . . . 25.0 110.408 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.03 -35.85 42.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.5 tp -59.85 -45.31 92.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.724 -0.216 . . . . 25.0 110.733 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.9 -34.52 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 121.954 -0.466 . . . . 25.0 110.838 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 . . . . . 0 C--N 1.322 -0.598 0 O-C-N 121.829 -0.544 . . . . 25.0 110.162 175.153 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HB3' HD22 ' A' ' 61' ' ' LEU . 31.4 Cg_endo . . . . . 0 C--O 1.218 -0.524 0 N-CA-C 113.474 0.528 . . . . 25.0 113.474 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.3 93.09 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.876 -0.329 . . . . 25.0 110.364 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.91 -37.07 56.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 25.0 110.788 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.48 -41.36 93.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.203 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -57.53 -45.07 85.47 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -43.24 88.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.94 0.4 . . . . 25.0 111.483 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -59.95 -49.29 78.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.259 0.552 . . . . 25.0 109.731 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.9 -44.01 94.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.992 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.66 -36.19 83.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 25.0 110.589 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.39 58.94 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.26 98.48 39.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.402 . . . . 25.0 111.864 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.5 -25.2 63.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 114.992 1.112 . . . . 25.0 114.992 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.07 -44.11 40.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.853 -0.529 . . . . 25.0 111.133 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.56 -39.71 70.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.52 71.64 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.747 -0.595 . . . . 25.0 111.111 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.4 p -76.46 -35.98 58.14 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.722 0.296 . . . . 25.0 111.576 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.56 -33.19 66.62 Favored 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.06 -44.5 95.64 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.978 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -69.51 -26.05 64.34 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 119.742 -0.783 . . . . 25.0 112.652 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -76.16 -50.79 13.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.403 0.621 . . . . 25.0 110.784 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -82.61 -36.12 26.41 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.925 1.454 . . . . 25.0 114.925 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -135.1 69.1 70.23 Favored Pre-proline 0 N--CA 1.472 0.656 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.05 -35.9 91.43 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.402 2.424 . . . . 25.0 118.402 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -69.69 -29.77 23.69 Favored 'Trans proline' 0 C--N 1.362 1.27 1 C-N-CA 112.336 -4.643 . . . . 25.0 115.941 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.5 tp -75.37 -33.54 61.06 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.842 -1.162 . . . . 25.0 108.046 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.13 77.42 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.857 -0.61 . . . . 25.0 112.457 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.89 -31.48 69.84 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.292 0.951 . . . . 25.0 110.999 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -60.79 -43.08 98.56 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.967 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.22 -43.99 76.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.08 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.14 -28.89 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.592 0.711 . . . . 25.0 110.524 -174.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.429 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . 7.9 t -74.03 -23.31 59.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.031 -0.986 . . . . 25.0 112.359 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.83 -18.37 39.85 Favored Glycine 0 CA--C 1.517 0.204 0 CA-C-O 121.258 0.365 . . . . 25.0 112.983 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -68.13 113.28 5.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 25.0 111.741 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.22 -36.23 83.5 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 109.273 -0.639 . . . . 25.0 109.273 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.79 -48.49 81.55 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.955 -0.465 . . . . 25.0 110.696 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 ptmt -67.63 -36.23 80.41 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.07 -0.652 . . . . 25.0 109.84 177.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.499 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 81.6 t80 -62.12 -50.31 72.41 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 118.304 0.502 . . . . 25.0 111.332 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -64.36 -40.76 96.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -63.84 -45.89 87.48 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.089 -0.382 . . . . 25.0 110.182 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.78 -32.78 56.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 21' ' ' PRO . 4.0 tp -56.23 -42.87 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.033 -0.417 . . . . 25.0 111.054 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.93 -44.71 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 122.176 -0.327 . . . . 25.0 110.4 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 . . . . . 0 N--CA 1.47 0.56 0 CA-C-O 121.693 0.759 . . . . 25.0 110.354 179.175 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.5 Cg_endo . . . . . 0 C--O 1.214 -0.714 0 N-CA-C 112.917 0.314 . . . . 25.0 112.917 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.1 85.57 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 25.0 110.733 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.27 -38.22 71.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.3 tp -67.08 -39.69 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.541 -0.299 . . . . 25.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -59.85 -45.55 92.07 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -44.31 91.98 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.231 -0.895 . . . . 25.0 112.08 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.8 -44.96 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.858 0.361 . . . . 25.0 110.626 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.413 -0.358 . . . . 25.0 111.733 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.06 -36.97 83.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 25.0 110.119 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.22 -16.18 56.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.707 -0.678 . . . . 25.0 112.519 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -106.14 102.54 40.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -174.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.24 -27.44 48.43 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 N-CA-C 115.621 1.354 . . . . 25.0 115.621 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -75.93 -42.88 47.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.818 0.818 . . . . 25.0 111.014 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.59 -37.45 68.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.376 -0.829 . . . . 25.0 109.3 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.649 -0.657 . . . . 25.0 110.809 176.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.75 -40.11 61.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 25.0 111.63 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.15 -33.81 76.22 Favored 'General case' 0 CA--C 1.479 -1.765 0 CA-C-O 122.01 0.909 . . . . 25.0 108.845 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.87 -47.4 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.828 -1.078 . . . . 25.0 111.495 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.85 -26.19 64.09 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.843 0.682 . . . . 25.0 112.843 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -71.14 -51.69 23.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 25.0 110.277 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -101.01 -24.07 14.39 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 117.097 2.258 . . . . 25.0 117.097 -169.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -132.55 68.72 79.59 Favored Pre-proline 0 N--CA 1.477 0.884 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.54 -36.89 90.07 Favored 'Trans proline' 0 CA--C 1.551 1.331 0 N-CA-C 118.361 2.408 . . . . 25.0 118.361 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -69.56 -30.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 112.407 -4.595 . . . . 25.0 115.733 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -75.41 -31.21 60.33 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.801 -1.187 . . . . 25.0 108.354 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.42 69.61 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.614 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.39 69.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.678 0.672 . . . . 25.0 110.854 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -60.05 -46.37 89.77 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 115.816 -0.629 . . . . 25.0 112.636 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -65.94 -40.03 91.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.063 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.93 -33.68 76.25 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.268 0.556 . . . . 25.0 110.383 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -24.92 61.28 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.51 -0.768 . . . . 25.0 111.266 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.18 -15.1 46.46 Favored Glycine 0 C--O 1.235 0.187 0 CA-C-N 116.331 -0.395 . . . . 25.0 112.135 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 50.1 t0 -65.22 114.03 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 25.0 110.827 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.73 -36.56 83.93 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -59.66 -52.06 67.11 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.908 -0.495 . . . . 25.0 110.808 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.8 -39.7 94.01 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 117.791 -1.1 . . . . 25.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.4 -50.67 73.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 119.124 0.874 . . . . 25.0 112.719 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.1 t -64.61 -38.42 90.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 118.624 0.647 . . . . 25.0 112.165 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -67.43 -45.09 77.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.57 -0.529 . . . . 25.0 109.57 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.51 -34.16 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.331 -0.989 . . . . 25.0 108.331 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.674 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.2 tp -56.87 -46.86 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.899 -0.5 . . . . 25.0 111.223 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.64 -35.06 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.972 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 . . . . . 0 N--CA 1.474 0.773 0 CA-C-O 121.323 0.582 . . . . 25.0 109.779 174.516 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.687 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.1 Cg_endo . . . . . 0 C--O 1.22 -0.411 0 N-CA-C 112.801 0.269 . . . . 25.0 112.801 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.7 97.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.302 -0.249 . . . . 25.0 111.575 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.93 -36.8 48.95 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.24 0.338 . . . . 25.0 110.456 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.06 -41.43 90.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.571 -0.451 . . . . 25.0 110.07 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -56.53 -43.42 79.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.24 -44.26 84.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.975 0.417 . . . . 25.0 111.597 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.32 -48.71 80.58 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.305 0.574 . . . . 25.0 110.618 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.565 -0.743 . . . . 25.0 112.471 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.69 -35.75 81.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.058 0.456 . . . . 25.0 110.267 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.56 -11.39 59.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.67 0.618 . . . . 25.0 112.67 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -115.92 100.33 53.43 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.79 -25.62 53.22 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 N-CA-C 115.471 1.296 . . . . 25.0 115.471 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -76.19 -44.49 37.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.953 0.882 . . . . 25.0 110.685 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -35.19 69.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.318 -0.856 . . . . 25.0 110.258 -174.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -28.68 67.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.012 0.434 . . . . 25.0 110.11 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.9 t -74.7 -42.11 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 25.0 111.275 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.17 -31.17 71.4 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-O 121.942 0.877 . . . . 25.0 109.128 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.0 tp -66.39 -43.71 85.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 115.192 -0.913 . . . . 25.0 111.928 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -69.63 -26.24 64.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 119.961 -0.696 . . . . 25.0 111.999 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.16 -54.12 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.5 0.667 . . . . 25.0 110.878 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -89.56 -26.37 20.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.88 1.437 . . . . 25.0 114.88 -168.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.08 68.08 48.59 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -55.19 -35.92 92.07 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 N-CA-C 117.982 2.262 . . . . 25.0 117.982 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.83 -29.11 29.11 Favored 'Trans proline' 0 C--N 1.363 1.309 1 C-N-CA 112.507 -4.529 . . . . 25.0 115.866 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 tp -75.34 -33.39 61.1 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.729 -1.232 . . . . 25.0 108.582 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.54 75.41 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.818 -0.628 . . . . 25.0 112.473 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.18 -31.51 69.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.728 0.695 . . . . 25.0 111.206 -177.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.16 -43.45 98.8 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-O 120.958 0.409 . . . . 25.0 111.837 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.9 -40.44 91.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.741 -0.663 . . . . 25.0 109.812 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.19 -30.83 71.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.154 0.502 . . . . 25.0 110.929 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -74.15 -24.74 59.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.559 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.35 -13.64 57.13 Favored Glycine 0 C--O 1.235 0.167 0 CA-C-N 116.504 -0.316 . . . . 25.0 112.499 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.6 t0 -70.72 111.54 6.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.917 0.389 . . . . 25.0 110.984 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.01 -36.63 84.2 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.96 -51.6 68.99 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.855 -0.528 . . . . 25.0 110.791 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.4 ptmt -65.04 -35.98 82.89 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.245 -0.582 . . . . 25.0 109.605 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.3 -51.35 68.04 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 118.429 0.559 . . . . 25.0 112.334 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -63.11 -39.98 96.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.39 0.614 . . . . 25.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -66.05 -51.56 57.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.244 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.26 -29.54 46.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.076 -1.083 . . . . 25.0 108.076 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.5 tp -61.16 -47.59 85.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.301 -0.249 . . . . 25.0 111.023 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.7 -33.94 45.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.163 -0.615 . . . . 25.0 110.766 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.16 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.6 Cg_endo . . . . . 0 C--O 1.215 -0.642 0 N-CA-C 113.035 0.36 . . . . 25.0 113.035 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.9 99.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.189 -0.319 . . . . 25.0 111.569 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -76.46 -39.13 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.229 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.53 -40.02 88.92 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.616 -0.434 . . . . 25.0 110.602 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -56.81 -45.36 82.32 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.28 -44.33 83.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.894 0.378 . . . . 25.0 111.68 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -60.1 -49.85 76.03 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.43 0.633 . . . . 25.0 110.05 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.248 -0.887 . . . . 25.0 112.319 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.99 -35.75 81.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.99 0.424 . . . . 25.0 110.617 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.82 -13.04 60.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.795 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.3 t-20 -110.56 98.26 36.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.51 -28.36 53.65 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 N-CA-C 115.59 1.342 . . . . 25.0 115.59 -175.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -76.11 -42.39 47.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.553 -0.717 . . . . 25.0 110.946 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.04 -37.26 69.74 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 -175.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -30.33 70.86 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.614 -0.679 . . . . 25.0 110.603 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -76.84 -41.52 43.8 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.6 -31.01 70.76 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 122.439 1.114 . . . . 25.0 108.888 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.241 -0.891 . . . . 25.0 112.981 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.22 -29.79 68.7 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 120.086 -0.646 . . . . 25.0 111.739 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -53.36 12.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.578 0.704 . . . . 25.0 110.889 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -81.85 -36.01 28.72 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -134.88 68.78 71.31 Favored Pre-proline 0 C--O 1.242 0.671 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -53.87 -35.64 80.4 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.757 2.56 . . . . 25.0 118.757 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.83 -31.53 24.86 Favored 'Trans proline' 0 C--N 1.36 1.178 1 C-N-CA 112.785 -4.343 . . . . 25.0 115.663 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -75.57 -33.62 60.63 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.937 -1.102 . . . . 25.0 108.381 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -48.03 75.08 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.6 -31.42 69.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.038 0.835 . . . . 25.0 110.463 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.431 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.9 -44.71 96.24 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.525 175.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.07 -41.43 90.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.492 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.27 -29.29 70.65 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.272 0.558 . . . . 25.0 110.786 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -76.49 -23.2 53.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.16 -21.3 21.28 Favored Glycine 0 C--O 1.236 0.245 0 CA-C-N 116.597 -0.274 . . . . 25.0 112.781 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.19 117.62 5.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.183 0.516 . . . . 25.0 111.857 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.43 -37.63 83.31 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.39 -51.1 70.92 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.498 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.7 ptmt -65.17 -37.66 88.07 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.456 -0.783 . . . . 25.0 109.708 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -62.13 -51.27 68.55 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 118.731 0.696 . . . . 25.0 112.301 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 t -60.73 -39.53 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 25.0 111.531 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -49.77 69.21 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.93 -29.53 37.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.0 tp -59.65 -45.5 91.82 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.85 -0.531 . . . . 25.0 110.903 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -76.05 -34.5 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.56 -0.456 . . . . 25.0 110.543 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.471 0.618 0 O-C-N 121.673 -0.642 . . . . 25.0 110.475 176.687 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB3' HD22 ' A' ' 61' ' ' LEU . 34.0 Cg_endo . . . . . 0 C--O 1.214 -0.716 0 N-CA-C 111.505 -0.229 . . . . 25.0 111.505 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.0 99.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.0 -34.44 50.78 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.059 -0.349 . . . . 25.0 110.059 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.5 tp -68.53 -41.72 79.5 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.563 -0.455 . . . . 25.0 110.335 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -44.46 79.65 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.63 -45.91 88.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.962 0.41 . . . . 25.0 111.772 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -60.44 -49.57 77.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.267 0.556 . . . . 25.0 110.682 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.78 -43.32 98.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.511 -0.768 . . . . 25.0 111.985 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.9 -35.62 81.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.954 0.406 . . . . 25.0 110.693 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.81 59.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 25.0 112.31 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.93 100.16 53.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.18 -25.59 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.44 1.285 . . . . 25.0 115.44 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.56 -42.2 43.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.441 0.639 . . . . 25.0 110.97 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.26 -38.31 66.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.453 0.644 . . . . 25.0 109.424 -175.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -29.42 70.37 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.762 -0.586 . . . . 25.0 110.097 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 t -74.68 -41.43 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.822 0.449 . . . . 25.0 111.623 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.94 -31.17 70.73 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-O 122.016 0.912 . . . . 25.0 108.936 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.33 -44.52 83.12 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 115.063 -0.971 . . . . 25.0 111.936 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -70.45 -26.17 63.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 120.133 -0.627 . . . . 25.0 112.35 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.31 -51.98 26.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.167 0.508 . . . . 25.0 110.409 175.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -93.75 -29.66 15.27 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.269 1.951 . . . . 25.0 116.269 -171.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -135.45 69.79 67.55 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 113.674 0.99 . . . . 25.0 113.674 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.27 -37.1 88.25 Favored 'Trans proline' 0 CA--C 1.55 1.319 0 N-CA-C 118.576 2.491 . . . . 25.0 118.576 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.65 -30.34 28.28 Favored 'Trans proline' 0 C--N 1.361 1.233 1 C-N-CA 112.855 -4.297 . . . . 25.0 115.857 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.61 -33.42 60.53 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.862 -1.149 . . . . 25.0 108.495 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -49.33 71.34 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.64 -0.709 . . . . 25.0 112.172 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.4 -31.44 70.38 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.587 0.631 . . . . 25.0 111.266 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.404 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.25 -44.21 97.62 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-O 120.821 0.343 . . . . 25.0 111.229 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 tp -66.21 -40.78 90.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.059 -0.518 . . . . 25.0 110.647 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.54 -30.48 71.5 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.166 0.508 . . . . 25.0 110.785 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 49.7 m -74.76 -26.46 59.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.672 -0.694 . . . . 25.0 111.375 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.2 -21.89 39.76 Favored Glycine 0 C--O 1.229 -0.164 0 N-CA-C 113.891 0.316 . . . . 25.0 113.891 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -66.1 121.29 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.345 0.593 . . . . 25.0 111.02 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -66.08 -40.22 90.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.448 -0.501 . . . . 25.0 110.225 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.96 -30.23 70.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.321 0.581 . . . . 25.0 110.282 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' A' ' 51' ' ' SER . 16.7 ptmt -78.48 -35.78 46.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.817 -0.753 . . . . 25.0 109.018 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.95 -46.66 83.7 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 123.094 0.246 . . . . 25.0 110.473 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -65.18 -37.87 88.73 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 122.886 0.474 . . . . 25.0 111.64 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.6 -50.44 67.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.727 -0.472 . . . . 25.0 109.727 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.87 -29.7 41.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.7 tp -61.18 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.856 -0.528 . . . . 25.0 111.16 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.01 -34.8 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.297 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 . . . . . 0 C--N 1.323 -0.575 0 O-C-N 121.785 -0.572 . . . . 25.0 110.884 176.584 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.731 ' HB3' HD22 ' A' ' 61' ' ' LEU . 30.4 Cg_endo . . . . . 0 C--O 1.212 -0.811 0 N-CA-C 112.232 0.051 . . . . 25.0 112.232 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.7 93.02 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.297 -0.252 . . . . 25.0 110.654 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.9 mt -73.19 -38.42 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 25.0 110.293 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.32 -39.9 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.974 -0.291 . . . . 25.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -59.18 -44.69 92.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.159 -1.052 . . . . 25.0 108.159 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -44.82 91.38 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.751 -0.659 . . . . 25.0 112.067 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.9 ttp -61.93 -44.23 97.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.845 0.355 . . . . 25.0 110.796 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.0 -42.22 94.69 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.587 -0.279 . . . . 25.0 111.712 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.2 -37.56 85.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.28 0.562 . . . . 25.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.56 -16.0 57.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.554 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -110.12 103.6 54.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -173.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.46 -26.71 47.3 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.684 1.379 . . . . 25.0 115.684 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -76.01 -42.46 47.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.961 0.886 . . . . 25.0 110.438 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -36.07 65.32 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.276 -0.875 . . . . 25.0 110.004 -174.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -30.3 70.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.132 0.492 . . . . 25.0 109.778 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -74.51 -41.79 60.04 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 116.13 -0.486 . . . . 25.0 110.444 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.91 -33.73 76.71 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 121.369 -0.832 . . . . 25.0 108.915 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.28 -44.02 89.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.211 -0.904 . . . . 25.0 112.427 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -68.77 -29.19 67.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 120.3 -0.56 . . . . 25.0 111.93 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -74.79 -49.54 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.186 0.517 . . . . 25.0 111.278 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -89.98 -27.98 19.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.06 70.29 48.99 Favored Pre-proline 0 N--CA 1.477 0.914 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.59 -37.8 83.47 Favored 'Trans proline' 0 CA--C 1.553 1.458 0 N-CA-C 119.079 2.684 . . . . 25.0 119.079 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.19 -32.71 20.36 Favored 'Trans proline' 0 C--N 1.359 1.122 1 C-N-CA 112.728 -4.381 . . . . 25.0 115.454 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.1 tp -75.29 -30.31 60.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.981 -1.118 . . . . 25.0 107.981 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.74 -49.48 70.65 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 118.601 -0.714 . . . . 25.0 112.645 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -31.74 72.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.201 0.909 . . . . 25.0 110.601 -175.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.542 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.38 -45.65 87.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.109 -0.951 . . . . 25.0 111.603 172.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.504 -0.771 . . . . 25.0 110.658 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 16.9 mt -63.22 -32.36 73.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.236 0.541 . . . . 25.0 110.708 -173.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -70.18 -24.58 63.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.473 -0.785 . . . . 25.0 112.193 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.61 -15.48 46.32 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.397 -0.365 . . . . 25.0 112.695 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.442 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 44.7 t0 -65.62 116.09 6.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 25.0 110.558 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.4 -36.54 81.49 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.36 -53.08 62.27 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.964 -0.46 . . . . 25.0 110.83 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.8 ptmt -64.47 -36.99 85.99 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 177.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.534 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 73.2 t80 -61.35 -51.8 67.29 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.714 -0.616 . . . . 25.0 111.224 178.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -65.08 -38.51 90.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -46.69 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.77 -34.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.121 -0.631 . . . . 25.0 109.38 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -57.79 -44.8 86.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.854 -0.529 . . . . 25.0 111.045 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 p -74.73 -36.42 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.482 -0.487 . . . . 25.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 . . . . . 0 N--CA 1.472 0.648 0 O-C-N 121.517 -0.739 . . . . 25.0 111.251 176.913 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.509 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.9 Cg_endo . . . . . 0 C--O 1.217 -0.557 0 N-CA-C 113.114 0.39 . . . . 25.0 113.114 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.87 91.68 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.151 -0.343 . . . . 25.0 110.832 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.8 -37.66 64.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.094 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.72 -41.33 88.09 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.83 -0.348 . . . . 25.0 110.435 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.57 -46.22 87.38 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -44.34 93.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.94 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.2 ttp -62.98 -43.72 98.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 120.69 0.281 . . . . 25.0 110.832 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.96 -40.25 96.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.29 -35.62 79.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.18 0.514 . . . . 25.0 109.868 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.03 -9.85 58.32 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -113.43 101.73 53.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.44 -24.94 48.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 N-CA-C 115.412 1.274 . . . . 25.0 115.412 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -76.11 -42.41 47.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.925 0.869 . . . . 25.0 110.97 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.05 -37.35 61.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.205 -0.907 . . . . 25.0 108.927 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -30.37 70.16 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.755 -0.591 . . . . 25.0 110.171 177.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -70.67 -45.53 64.91 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.251 0.62 . . . . 25.0 110.711 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.15 -33.77 76.53 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 121.518 -0.739 . . . . 25.0 109.515 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -65.16 -43.89 90.3 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.366 -0.834 . . . . 25.0 113.05 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.35 -26.22 64.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 120.154 -0.618 . . . . 25.0 111.885 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.19 -51.81 9.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.177 0.513 . . . . 25.0 112.296 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -84.46 -31.02 24.79 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -136.1 68.99 63.62 Favored Pre-proline 0 C--O 1.242 0.682 0 N-CA-C 114.473 1.286 . . . . 25.0 114.473 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.68 -36.14 89.1 Favored 'Trans proline' 0 CA--C 1.553 1.448 0 N-CA-C 118.208 2.349 . . . . 25.0 118.208 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.53 -30.15 23.82 Favored 'Trans proline' 0 C--N 1.362 1.287 1 C-N-CA 112.277 -4.682 . . . . 25.0 115.784 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -75.43 -30.93 60.19 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.795 -1.191 . . . . 25.0 108.45 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.36 71.52 Favored 'General case' 0 C--O 1.21 -0.997 0 C-N-CA 119.977 -0.689 . . . . 25.0 112.169 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -31.95 70.71 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.981 0.81 . . . . 25.0 111.843 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.97 -44.2 91.48 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 123.491 0.716 . . . . 25.0 111.777 173.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.16 -43.78 85.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.938 -0.573 . . . . 25.0 110.366 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 25.0 111.223 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -72.15 -23.8 61.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.767 -0.651 . . . . 25.0 112.113 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.7 -19.8 22.68 Favored Glycine 0 C--O 1.238 0.395 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.344 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.425 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 45.0 t0 -63.24 114.58 3.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.428 . . . . 25.0 111.357 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.98 -36.24 81.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.47 -52.12 66.96 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.668 -0.413 . . . . 25.0 110.287 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.2 ptmt -65.44 -38.35 89.61 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.079 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.511 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 68.4 t80 -59.22 -51.97 67.68 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 118.845 0.748 . . . . 25.0 111.784 177.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.9 t -64.01 -40.14 95.67 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -44.82 96.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.94 -34.3 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.9 tp -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.834 -0.541 . . . . 25.0 110.987 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.34 -35.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.363 -0.535 . . . . 25.0 111.172 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 . . . . . 0 N--CA 1.471 0.61 0 O-C-N 121.648 -0.657 . . . . 25.0 110.741 176.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.465 ' HB3' HD22 ' A' ' 61' ' ' LEU . 56.8 Cg_endo . . . . . 0 C--O 1.21 -0.922 0 N-CA-C 111.698 -0.155 . . . . 25.0 111.698 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.39 90.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.501 0.667 . . . . 25.0 110.717 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.65 -42.29 61.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.895 -1.048 . . . . 25.0 110.349 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.05 -38.66 86.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.253 -0.43 . . . . 25.0 110.643 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -58.13 -44.8 87.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.327 -0.62 . . . . 25.0 109.327 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.0 -46.83 76.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.795 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.6 ttp -60.58 -42.54 96.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.125 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -65.45 -43.75 89.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.5 -36.08 82.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.746 0.308 . . . . 25.0 110.378 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.57 -15.94 59.73 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.633 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -109.36 102.56 49.88 Favored Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -174.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.39 -25.14 49.15 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 N-CA-C 115.988 1.495 . . . . 25.0 115.988 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -78.0 -41.95 34.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.864 0.84 . . . . 25.0 110.908 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -71.13 -37.01 72.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.034 -0.985 . . . . 25.0 109.648 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.98 67.43 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.008 -0.433 . . . . 25.0 110.154 177.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.8 m -74.41 -42.43 59.22 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.489 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.97 -30.37 70.48 Favored 'General case' 0 CA--C 1.484 -1.56 0 C-N-CA 119.319 -0.953 . . . . 25.0 108.733 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -68.96 -43.26 75.36 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.577 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.73 -28.55 66.92 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 119.804 -0.759 . . . . 25.0 111.607 175.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.64 -52.1 14.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.315 0.579 . . . . 25.0 111.961 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -85.96 -28.49 24.22 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.35 1.241 . . . . 25.0 114.35 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -138.36 70.1 46.89 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.43 -37.27 89.48 Favored 'Trans proline' 0 CA--C 1.551 1.35 0 N-CA-C 117.801 2.193 . . . . 25.0 117.801 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.7 -29.25 29.73 Favored 'Trans proline' 0 C--N 1.36 1.159 1 C-N-CA 112.261 -4.693 . . . . 25.0 116.252 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.9 tp -75.3 -35.56 61.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.796 -1.19 . . . . 25.0 108.503 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.61 80.0 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.53 -30.84 70.01 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.026 0.83 . . . . 25.0 110.362 -176.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -66.41 -38.77 88.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.459 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -66.84 -44.97 79.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.393 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.24 -28.62 69.86 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.185 0.517 . . . . 25.0 112.273 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -74.12 -17.81 60.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.525 -0.761 . . . . 25.0 112.163 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.54 -30.27 4.19 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.356 -0.449 . . . . 25.0 113.713 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.23 110.35 0.93 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.51 0.672 . . . . 25.0 112.53 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.04 -33.9 76.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -51.14 -56.29 13.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 25.0 110.867 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.4 ptmt -73.36 -33.77 65.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.407 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.11 -50.9 71.88 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.471 -0.492 . . . . 25.0 110.375 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 t -61.36 -40.49 94.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.171 0.51 . . . . 25.0 112.251 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -63.08 -44.86 94.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.072 -0.392 . . . . 25.0 110.197 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.52 -32.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 119.537 -0.865 . . . . 25.0 109.185 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -57.68 -45.14 86.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.225 -0.297 . . . . 25.0 110.815 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.5 p -73.55 -35.6 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.261 -0.576 . . . . 25.0 111.07 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 . . . . . 0 N--CA 1.473 0.678 0 CA-C-N 118.586 0.63 . . . . 25.0 110.972 177.318 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.6 Cg_endo . . . . . 0 C--O 1.223 -0.266 0 N-CA-C 113.127 0.395 . . . . 25.0 113.127 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.74 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.323 -0.235 . . . . 25.0 111.587 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -77.95 -40.72 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.024 0.44 . . . . 25.0 110.408 -178.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.41 -40.71 93.74 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.67 -0.412 . . . . 25.0 111.248 -178.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -56.59 -45.06 81.57 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 176.373 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.47 -43.61 98.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.129 0.49 . . . . 25.0 111.631 -177.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -63.65 -49.54 72.84 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.088 178.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.819 -0.628 . . . . 25.0 112.305 -177.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.5 mt -63.32 -33.35 75.34 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.26 0.552 . . . . 25.0 109.782 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.02 -4.0 59.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 25.0 112.46 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -122.84 99.76 41.21 Favored Pre-proline 0 CA--C 1.534 0.343 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 -175.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -66.62 -24.52 48.16 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 N-CA-C 115.693 1.382 . . . . 25.0 115.693 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.29 -39.52 54.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.825 0.821 . . . . 25.0 110.796 178.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -75.47 -33.46 60.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.141 -0.936 . . . . 25.0 108.684 -174.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.59 -29.14 64.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 175.293 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -71.63 -43.33 66.35 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.157 -0.34 . . . . 25.0 111.223 -178.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.58 -29.38 69.42 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.997 0.903 . . . . 25.0 109.897 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -70.17 -45.68 66.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.094 -0.957 . . . . 25.0 112.148 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -66.71 -26.05 66.83 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 122.011 -0.431 . . . . 25.0 111.063 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.54 -54.52 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.196 0.522 . . . . 25.0 111.594 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -93.51 -23.89 18.18 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 116.394 1.998 . . . . 25.0 116.394 -169.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -135.7 71.94 63.74 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 179.158 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.86 -39.56 89.49 Favored 'Trans proline' 0 CA--C 1.552 1.415 0 N-CA-C 117.845 2.209 . . . . 25.0 117.845 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.22 -32.26 27.32 Favored 'Trans proline' 0 C--N 1.361 1.226 1 C-N-CA 112.687 -4.408 . . . . 25.0 115.642 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -73.81 -32.45 63.73 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.897 -1.127 . . . . 25.0 108.995 177.085 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.25 68.42 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.924 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.1 -31.58 70.17 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.366 0.53 . . . . 25.0 111.866 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -59.43 -40.75 87.75 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 122.978 0.511 . . . . 25.0 111.28 174.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.8 -42.6 66.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.705 -0.68 . . . . 25.0 110.725 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.86 -33.38 75.15 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.768 0.794 . . . . 25.0 109.8 -176.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 t -71.55 -22.96 61.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.848 -1.069 . . . . 25.0 111.964 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.65 -17.44 35.24 Favored Glycine 0 N--CA 1.457 0.078 0 N-CA-C 114.199 0.44 . . . . 25.0 114.199 178.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 44.1 t0 -70.36 113.47 7.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.942 0.401 . . . . 25.0 111.502 -177.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.65 -33.45 75.93 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.653 -0.499 . . . . 25.0 109.653 177.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.23 -53.3 59.64 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.3 ptmt -67.94 -35.71 78.88 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.913 -0.715 . . . . 25.0 111.119 178.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.495 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 76.9 t80 -60.85 -51.12 70.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.677 0.671 . . . . 25.0 111.198 177.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -63.15 -38.23 90.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.57 79.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.089 -0.337 . . . . 25.0 110.089 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.15 -34.31 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.454 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.4 tp -57.8 -44.97 86.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.892 -0.505 . . . . 25.0 111.812 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.1 p -76.62 -33.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.496 -0.482 . . . . 25.0 110.718 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 . . . . . 0 C--N 1.322 -0.602 0 O-C-N 121.757 -0.589 . . . . 25.0 110.909 177.214 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.736 ' HB3' HD22 ' A' ' 61' ' ' LEU . 38.1 Cg_endo . . . . . 0 C--O 1.213 -0.771 0 CA-C-O 120.277 0.032 . . . . 25.0 112.064 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.04 96.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.335 -0.228 . . . . 25.0 110.691 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.93 -41.39 64.59 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.358 -0.383 . . . . 25.0 110.145 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.01 -42.4 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.953 -0.388 . . . . 25.0 109.953 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -44.42 91.55 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 176.078 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.97 -43.98 90.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.878 0.37 . . . . 25.0 111.378 -177.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.12 -43.87 97.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.058 0.456 . . . . 25.0 110.458 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.36 -40.65 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.607 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.94 -37.75 85.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.208 0.528 . . . . 25.0 109.704 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.47 -13.56 59.01 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.978 0.733 . . . . 25.0 112.978 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -111.6 100.61 48.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -173.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.25 -25.61 57.21 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 N-CA-C 115.279 1.223 . . . . 25.0 115.279 -177.202 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -76.14 -43.36 43.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 25.0 111.161 178.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.98 -38.44 64.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -174.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -30.11 71.29 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.595 -0.691 . . . . 25.0 110.826 176.137 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -74.82 -39.61 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.186 0.594 . . . . 25.0 111.216 -179.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.04 -33.77 74.12 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 176.42 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.83 -43.06 97.34 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.252 -0.886 . . . . 25.0 112.595 -178.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -68.54 -26.14 65.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.083 -0.647 . . . . 25.0 112.495 175.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -78.68 -51.89 9.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 25.0 110.656 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.14 -34.1 32.72 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.586 1.699 . . . . 25.0 115.586 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -137.35 66.77 52.61 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -176.351 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.31 -34.81 72.03 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 N-CA-C 118.071 2.297 . . . . 25.0 118.071 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.87 -29.14 28.83 Favored 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 112.403 -4.598 . . . . 25.0 116.014 177.054 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.47 -33.59 60.83 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.681 -1.262 . . . . 25.0 107.747 175.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.32 76.9 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.482 -0.781 . . . . 25.0 112.276 178.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.76 -32.57 72.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.07 0.85 . . . . 25.0 110.674 -177.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.468 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -59.78 -43.99 94.13 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 115.869 -0.605 . . . . 25.0 111.57 174.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.25 -41.13 90.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.693 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.81 -31.49 72.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.362 0.601 . . . . 25.0 110.756 -176.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.4 m -73.75 -24.24 59.85 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.644 -179.225 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.7 -11.95 54.4 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 116.306 -0.406 . . . . 25.0 112.563 -178.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.2 t0 -70.18 112.4 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 25.0 111.197 -178.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -36.95 85.51 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -57.09 -54.69 43.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.762 -0.586 . . . . 25.0 110.452 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.88 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 119.828 -0.749 . . . . 25.0 110.197 -179.419 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 61.3 t80 -59.8 -53.03 62.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 118.654 0.661 . . . . 25.0 111.993 176.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 t -63.86 -43.03 97.31 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -179.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -61.63 -45.25 94.85 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.837 -0.539 . . . . 25.0 111.504 -178.545 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.02 -34.22 62.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -59.17 -41.22 87.9 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 175.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.04 -44.38 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.051 0.387 . . . . 25.0 110.375 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 . . . . . 0 C--N 1.321 -0.649 0 CA-C-O 121.492 0.663 . . . . 25.0 109.904 179.708 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.701 ' HB3' HD22 ' A' ' 61' ' ' LEU . 24.5 Cg_endo . . . . . 0 C--O 1.214 -0.692 0 N-CA-C 112.657 0.214 . . . . 25.0 112.657 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.7 93.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.388 -0.195 . . . . 25.0 111.18 -179.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.07 -35.6 61.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.048 0.452 . . . . 25.0 110.443 -178.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 tp -68.78 -37.3 79.22 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.288 -0.258 . . . . 25.0 111.228 -178.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -61.32 -45.64 93.62 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 106.361 -1.718 . . . . 25.0 106.361 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.13 80.23 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.06 -1.427 . . . . 25.0 112.673 -179.215 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -60.97 -49.1 78.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.306 0.574 . . . . 25.0 110.431 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.25 -41.15 83.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.402 -0.817 . . . . 25.0 112.774 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.42 -37.34 86.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.947 0.403 . . . . 25.0 110.341 179.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.21 -11.12 59.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.328 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -109.94 96.05 23.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 -174.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.79 -29.53 76.96 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 N-CA-C 115.165 1.179 . . . . 25.0 115.165 -175.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -76.01 -38.76 56.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 25.0 112.149 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.82 -37.82 62.21 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 -176.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -67.54 -31.87 72.26 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.399 -0.521 . . . . 25.0 112.207 179.467 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -74.66 -39.29 62.12 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.123 0.487 . . . . 25.0 110.375 -178.311 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.59 -33.8 69.36 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.682 0.753 . . . . 25.0 109.465 177.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 51.6 tp -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 179.811 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.46 -26.18 66.26 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 119.896 -0.722 . . . . 25.0 111.544 175.302 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -77.5 -51.89 9.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.415 0.15 . . . . 25.0 110.864 176.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 38' ' ' LEU . 32.7 ptt180 -73.49 -38.2 65.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.364 1.616 . . . . 25.0 115.364 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -136.97 73.16 53.17 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 114.391 1.256 . . . . 25.0 114.391 -173.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.51 -38.15 94.33 Favored 'Trans proline' 0 CA--C 1.555 1.567 0 N-CA-C 118.144 2.325 . . . . 25.0 118.144 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.31 -30.96 23.52 Favored 'Trans proline' 0 C--N 1.362 1.266 1 C-N-CA 112.308 -4.661 . . . . 25.0 115.959 178.15 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.98 -31.21 62.88 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.791 -1.193 . . . . 25.0 108.284 175.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.14 73.99 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 118.653 -0.689 . . . . 25.0 112.215 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -59.96 -31.85 70.27 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.454 1.024 . . . . 25.0 110.988 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -58.22 -45.74 87.12 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.545 -0.752 . . . . 25.0 112.169 173.175 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 tp -66.29 -42.73 87.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.689 177.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.37 -31.29 72.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.288 0.566 . . . . 25.0 111.055 -175.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.9 -23.34 60.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.583 -0.735 . . . . 25.0 111.863 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.52 -20.18 19.77 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 116.37 -0.377 . . . . 25.0 112.206 -178.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 46.5 t0 -62.64 113.78 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.78 0.432 . . . . 25.0 111.503 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.74 -37.5 87.81 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 176.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.35 -53.34 59.37 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.982 -0.449 . . . . 25.0 110.556 -175.598 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 8.7 ptmt -63.97 -37.56 87.87 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.227 -0.589 . . . . 25.0 109.939 178.207 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.571 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 70.1 t80 -59.55 -51.44 69.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.66 0.664 . . . . 25.0 112.274 176.564 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.5 t -65.31 -40.0 93.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 178.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.44 90.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -178.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.49 -34.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.8 tp -54.4 -44.98 72.79 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.795 -0.566 . . . . 25.0 110.467 178.345 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.99 -42.67 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.823 0.344 . . . . 25.0 110.975 177.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 . . . . . 0 N--CA 1.472 0.662 0 O-C-N 121.844 -0.535 . . . . 25.0 110.783 179.11 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HB3' HD22 ' A' ' 61' ' ' LEU . 43.0 Cg_endo . . . . . 0 C--O 1.219 -0.445 0 N-CA-C 112.782 0.262 . . . . 25.0 112.782 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.29 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.808 -0.442 . . . . 25.0 109.808 177.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.01 -35.63 49.66 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.184 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.28 -45.4 93.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 178.362 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -58.38 -47.23 84.53 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 116.07 -0.513 . . . . 25.0 109.886 177.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.36 -44.83 95.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.689 0.281 . . . . 25.0 111.59 -178.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.6 ttp -61.64 -47.32 85.92 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 120.766 0.317 . . . . 25.0 110.246 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.4 -44.31 97.37 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 177.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.57 -34.88 77.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.33 -29.38 61.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -106.57 105.9 56.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 112.856 0.688 . . . . 25.0 112.856 -167.393 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.5 -23.93 42.95 Favored 'Trans proline' 0 C--O 1.22 -0.377 0 N-CA-C 115.76 1.408 . . . . 25.0 115.76 -175.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -76.46 -44.71 34.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.212 1.006 . . . . 25.0 110.138 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -33.33 68.81 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.496 -1.229 . . . . 25.0 110.247 -174.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -27.88 60.59 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.891 -0.506 . . . . 25.0 110.26 177.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -43.08 59.7 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.204 -177.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.32 -29.46 69.66 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 119.518 -0.873 . . . . 25.0 109.81 178.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -69.24 -43.24 74.41 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.122 -0.944 . . . . 25.0 112.105 -177.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -69.53 -26.77 64.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 120.19 -0.604 . . . . 25.0 111.588 175.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.64 -51.95 15.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.596 0.236 . . . . 25.0 111.066 176.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -89.87 -28.05 19.5 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 117.186 2.291 . . . . 25.0 117.186 -174.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -134.86 71.35 70.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 112.945 0.72 . . . . 25.0 112.945 -177.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -55.51 -37.01 95.42 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 118.195 2.344 . . . . 25.0 118.195 -178.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.76 -30.23 27.76 Favored 'Trans proline' 0 C--N 1.363 1.318 1 C-N-CA 112.689 -4.407 . . . . 25.0 115.756 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.46 -34.38 60.92 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.073 -1.017 . . . . 25.0 108.462 175.241 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -49.13 74.35 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.71 -31.0 69.2 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.863 0.756 . . . . 25.0 110.386 -178.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.24 -41.54 99.11 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.981 -0.554 . . . . 25.0 110.191 177.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -67.22 -42.07 84.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.511 -0.768 . . . . 25.0 111.241 176.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.23 -33.5 75.63 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.54 0.686 . . . . 25.0 112.476 -172.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.415 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 71.6 m -73.3 -18.74 61.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.856 -0.611 . . . . 25.0 111.714 177.235 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.91 -16.32 32.87 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 116.514 -0.312 . . . . 25.0 113.286 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -64.94 115.34 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.413 0.625 . . . . 25.0 111.961 -177.438 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.85 -34.55 78.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 178.102 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -55.37 -48.86 73.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.447 0.641 . . . . 25.0 110.877 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 16.4 ptmt -75.22 -37.26 61.17 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.579 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.433 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 84.7 t80 -60.19 -48.32 82.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.674 0.67 . . . . 25.0 110.719 177.533 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 t -66.68 -42.62 86.25 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.898 0.38 . . . . 25.0 111.066 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -63.56 -44.96 92.61 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.775 -178.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.29 -34.03 66.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 179.094 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.0 tp -56.63 -45.07 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.088 -0.382 . . . . 25.0 110.835 176.257 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.58 -43.75 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.77 0.319 . . . . 25.0 110.196 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 . . . . . 0 C--N 1.32 -0.697 0 C-N-CA 120.729 -0.388 . . . . 25.0 111.341 179.281 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.575 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.9 Cg_endo . . . . . 0 C--O 1.214 -0.678 0 N-CA-C 112.713 0.236 . . . . 25.0 112.713 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.2 96.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.841 0.312 . . . . 25.0 111.841 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 78.2 mt -77.39 -37.01 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.529 -176.996 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.59 -39.17 88.29 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -44.51 87.51 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 175.429 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.32 -46.8 81.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 25.0 111.398 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.61 -49.84 76.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.505 0.669 . . . . 25.0 110.612 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.86 -42.85 99.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.39 -0.823 . . . . 25.0 112.417 -178.303 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.3 -37.99 89.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.097 0.475 . . . . 25.0 110.479 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.64 -18.98 56.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.596 -0.729 . . . . 25.0 112.264 -178.226 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -104.3 104.11 42.58 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -173.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -67.18 -26.61 42.27 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 N-CA-C 115.686 1.379 . . . . 25.0 115.686 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -76.15 -44.02 40.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.835 . . . . 25.0 110.091 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.63 71.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.807 -173.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -30.41 71.09 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.891 -0.506 . . . . 25.0 110.616 176.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -74.67 -40.39 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.476 0.711 . . . . 25.0 110.734 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -33.8 74.11 Favored 'General case' 0 CA--C 1.483 -1.603 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 177.756 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.67 -45.16 94.08 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.296 -0.865 . . . . 25.0 112.608 -178.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.98 -26.49 66.83 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 175.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.14 -50.45 9.03 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.119 0.485 . . . . 25.0 111.612 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -78.75 -34.31 45.84 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.563 1.32 . . . . 25.0 114.563 -178.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -139.01 66.53 39.49 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -174.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -54.26 -34.7 80.76 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 N-CA-C 118.67 2.527 . . . . 25.0 118.67 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.34 -32.15 26.73 Favored 'Trans proline' 0 C--N 1.363 1.314 1 C-N-CA 112.62 -4.453 . . . . 25.0 115.407 178.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.0 tp -75.3 -34.12 61.26 Favored 'General case' 0 CA--C 1.516 -0.362 0 O-C-N 121.001 -1.062 . . . . 25.0 108.263 176.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.88 -49.34 77.87 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.944 0.793 . . . . 25.0 110.813 -177.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.4 -40.89 98.45 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.837 176.431 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.56 -42.82 86.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.504 . . . . 25.0 110.566 177.228 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.59 -27.66 69.4 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.078 0.466 . . . . 25.0 111.5 -174.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 m -76.5 -22.72 54.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 112.839 0.681 . . . . 25.0 112.839 -177.46 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.9 -25.75 6.53 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.471 -0.395 . . . . 25.0 112.526 -176.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -57.42 102.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.864 1.266 . . . . 25.0 112.326 177.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.58 -34.04 76.18 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -54.37 -50.8 66.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.032 0.444 . . . . 25.0 111.404 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -73.38 -35.62 65.94 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 120.152 -0.619 . . . . 25.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 74.9 t80 -59.81 -50.67 72.92 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.236 -0.586 . . . . 25.0 111.112 177.477 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.4 t -64.72 -39.74 94.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 178.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -60.11 -50.16 74.78 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 178.175 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.0 -34.15 65.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.6 tp -57.06 -47.68 80.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.092 -0.38 . . . . 25.0 111.41 178.127 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.37 -34.72 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.264 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 . . . . . 0 N--CA 1.471 0.589 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 175.612 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.659 ' HB3' HD22 ' A' ' 61' ' ' LEU . 35.6 Cg_endo . . . . . 0 C--O 1.218 -0.49 0 N-CA-C 112.663 0.217 . . . . 25.0 112.663 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.044 -0.41 . . . . 25.0 110.7 178.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.96 -33.15 57.67 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.411 -0.358 . . . . 25.0 110.409 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.422 -0.584 . . . . 25.0 109.422 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -57.63 -41.99 82.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 177.376 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.11 -44.92 87.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.878 0.371 . . . . 25.0 111.798 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.8 ttp -63.16 -43.45 98.25 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.562 -0.29 . . . . 25.0 110.355 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.7 -44.16 96.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.498 0.555 . . . . 25.0 112.498 177.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.58 -34.63 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 25.0 109.947 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.24 -10.94 59.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.784 -0.644 . . . . 25.0 112.471 178.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -118.1 99.04 51.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -175.346 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.1 -25.61 58.33 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 115.362 1.255 . . . . 25.0 115.362 -176.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -76.18 -40.88 51.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.73 0.776 . . . . 25.0 110.707 178.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.66 -37.47 62.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.695 0.759 . . . . 25.0 109.083 -174.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -30.2 70.69 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.704 -0.623 . . . . 25.0 110.243 176.521 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.82 -42.6 57.73 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.965 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.04 -30.09 70.56 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.281 1.039 . . . . 25.0 109.713 178.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 tp -66.33 -44.37 83.55 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.497 -1.229 . . . . 25.0 111.794 -179.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -73.19 -26.17 61.06 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 119.83 -0.748 . . . . 25.0 112.01 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -69.09 -46.82 66.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.133 0.492 . . . . 25.0 110.615 177.128 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -106.17 -23.99 12.45 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 117.941 2.571 . . . . 25.0 117.941 -173.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -134.14 67.5 73.29 Favored Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -178.197 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -54.89 -34.52 86.13 Favored 'Trans proline' 0 CA--C 1.549 1.26 0 N-CA-C 118.632 2.512 . . . . 25.0 118.632 -177.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.59 -34.01 26.84 Favored 'Trans proline' 0 C--N 1.361 1.221 1 C-N-CA 112.698 -4.401 . . . . 25.0 115.149 177.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.59 -31.7 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.025 -1.047 . . . . 25.0 108.359 176.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.34 76.12 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.708 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.13 -31.35 69.99 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.781 0.719 . . . . 25.0 110.525 -178.029 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.36 -42.07 99.11 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.368 -0.833 . . . . 25.0 111.596 176.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.8 tp -67.13 -42.91 83.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.19 -33.17 75.18 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.191 0.519 . . . . 25.0 110.935 -174.703 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -72.09 -24.02 61.43 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.614 -0.721 . . . . 25.0 111.541 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.81 -22.06 12.88 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 121.485 -0.388 . . . . 25.0 112.706 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -62.79 108.57 1.21 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.362 0.601 . . . . 25.0 111.189 -179.411 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.68 -34.38 77.0 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.103 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.05 -51.9 66.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.019 0.438 . . . . 25.0 110.556 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 14.5 ptmt -69.44 -37.35 77.34 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.647 -0.821 . . . . 25.0 111.434 178.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.512 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 73.0 t80 -58.67 -50.21 74.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.573 0.624 . . . . 25.0 110.953 175.746 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -64.31 -42.57 96.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.57 -48.37 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.909 -0.495 . . . . 25.0 110.044 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.95 -34.1 67.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 -178.577 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 21' ' ' PRO . 5.6 tp -53.09 -45.17 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.095 -0.378 . . . . 25.0 111.148 177.551 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.81 -42.92 82.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.754 0.311 . . . . 25.0 110.188 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 . . . . . 0 C--N 1.322 -0.629 0 CA-C-O 120.997 0.427 . . . . 25.0 110.662 -178.044 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB3' HD22 ' A' ' 61' ' ' LEU . 72.2 Cg_endo . . . . . 0 C--O 1.215 -0.668 0 N-CA-C 113.019 0.354 . . . . 25.0 113.019 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.438 -0.579 . . . . 25.0 109.438 177.051 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.82 -39.64 76.38 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.96 -44.09 90.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.445 -0.502 . . . . 25.0 110.426 178.036 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -56.53 -45.03 81.34 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 176.256 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -43.17 90.66 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -177.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.0 -48.56 81.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.415 0.626 . . . . 25.0 109.421 177.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.74 -42.25 96.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.913 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.54 -37.27 85.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 25.0 110.537 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.55 -14.86 57.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.654 -179.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -108.39 99.98 35.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 -173.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.57 -25.37 55.01 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 N-CA-C 115.234 1.205 . . . . 25.0 115.234 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -76.08 -43.1 45.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.466 0.65 . . . . 25.0 111.026 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.38 -39.49 62.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.599 . . . . 25.0 109.462 -174.754 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -29.28 70.15 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.752 -0.593 . . . . 25.0 110.419 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 t -74.67 -42.23 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.068 0.547 . . . . 25.0 111.336 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.42 -32.5 73.43 Favored 'General case' 0 CA--C 1.481 -1.701 0 O-C-N 121.527 -0.733 . . . . 25.0 109.142 177.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -64.92 -45.15 87.06 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 115.095 -0.957 . . . . 25.0 112.016 -179.249 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.51 -27.85 66.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 119.884 -0.726 . . . . 25.0 112.268 174.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -48.23 31.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.244 0.545 . . . . 25.0 111.807 177.279 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -93.26 -32.72 14.23 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.837 1.791 . . . . 25.0 115.837 -175.307 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -131.07 67.62 80.97 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -55.32 -35.23 91.05 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 118.16 2.331 . . . . 25.0 118.16 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -69.4 -28.54 26.88 Favored 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 112.395 -4.603 . . . . 25.0 115.648 177.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.5 tp -75.51 -35.13 60.83 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.711 -1.243 . . . . 25.0 108.305 174.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -47.99 81.1 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.816 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.67 -31.47 70.72 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.832 0.742 . . . . 25.0 110.619 -176.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.36 86.97 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.132 -0.486 . . . . 25.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.39 -42.86 82.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.24 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.99 -28.86 70.38 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.763 0.792 . . . . 25.0 110.049 -176.354 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -79.68 -14.95 58.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.513 -177.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.73 -30.58 3.47 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.648 0.619 . . . . 25.0 114.648 178.042 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.77 109.56 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.268 0.556 . . . . 25.0 112.447 -178.742 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.8 -33.86 76.08 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 106.726 -1.583 . . . . 25.0 106.726 176.205 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.62 -54.29 39.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 25.0 111.795 179.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -73.37 -32.84 64.74 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 120.528 -0.469 . . . . 25.0 110.242 -177.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.01 -51.71 65.77 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 123.116 0.26 . . . . 25.0 110.604 177.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 t -65.0 -40.79 95.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.916 0.389 . . . . 25.0 110.087 -178.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -49.85 72.35 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.278 -0.569 . . . . 25.0 111.231 -178.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.5 -29.38 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 -178.423 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.3 tp -60.24 -41.45 93.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 176.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.13 -37.13 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 122.395 -0.19 . . . . 25.0 110.797 178.3 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 N--CA 1.472 0.651 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 174.659 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.628 ' HB3' HD22 ' A' ' 61' ' ' LEU . 33.7 Cg_endo . . . . . 0 C--O 1.216 -0.623 0 N-CA-C 112.789 0.265 . . . . 25.0 112.789 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.94 82.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 -178.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 mt -68.56 -45.68 71.48 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 178.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.79 -39.77 95.06 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.852 -0.339 . . . . 25.0 111.456 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -58.77 -45.11 90.52 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.96 -42.52 76.51 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.548 -0.461 . . . . 25.0 111.252 -174.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.2 ttp -62.02 -42.52 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.771 0.428 . . . . 25.0 111.144 177.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -65.9 -42.82 89.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.88 0.371 . . . . 25.0 110.874 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.49 -38.23 89.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.251 0.548 . . . . 25.0 110.251 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.84 -15.64 59.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.27 -179.173 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -109.07 97.08 23.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.029 0.442 . . . . 25.0 111.642 -174.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.73 -25.61 61.06 Favored 'Trans proline' 0 C--N 1.346 0.415 0 N-CA-C 114.961 1.1 . . . . 25.0 114.961 -175.226 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -75.95 -42.25 49.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.14 0.495 . . . . 25.0 110.951 178.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.59 -43.9 62.74 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -175.277 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -58.3 -30.16 66.43 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.845 -0.534 . . . . 25.0 111.367 177.359 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -74.66 -39.94 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.738 0.815 . . . . 25.0 111.298 179.301 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.74 -33.59 68.82 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 177.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.52 -46.54 89.77 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.15 -0.932 . . . . 25.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -65.94 -26.14 67.45 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 174.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.74 -45.17 14.74 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 178.35 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.23 -31.4 17.92 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.639 1.348 . . . . 25.0 114.639 -176.445 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.58 64.44 51.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 113.122 0.786 . . . . 25.0 113.122 -177.037 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.62 -34.33 82.73 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 N-CA-C 118.725 2.548 . . . . 25.0 118.725 -177.293 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.42 -33.49 23.04 Favored 'Trans proline' 0 C--N 1.361 1.204 1 C-N-CA 112.525 -4.516 . . . . 25.0 115.426 178.57 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.26 -33.59 61.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -61.62 -49.33 77.04 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 118.439 -0.791 . . . . 25.0 112.281 179.734 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.96 -31.51 71.85 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.585 1.084 . . . . 25.0 110.775 -176.106 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.9 -43.18 96.74 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.067 176.176 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.09 -43.37 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.698 179.01 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 19.2 mt -64.49 -33.06 75.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.394 0.616 . . . . 25.0 110.599 -173.556 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.42 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 65.7 m -73.18 -21.97 60.57 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.288 -0.869 . . . . 25.0 112.074 -178.067 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.64 -20.3 32.2 Favored Glycine 0 CA--C 1.516 0.143 0 N-CA-C 114.896 0.718 . . . . 25.0 114.896 177.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.62 119.25 11.41 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 118.164 0.982 . . . . 25.0 111.481 -178.394 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.5 -35.11 78.5 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.106 -0.638 . . . . 25.0 109.846 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.97 -46.58 84.91 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.837 -0.745 . . . . 25.0 111.084 178.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 18.7 ptmt -70.68 -37.44 73.64 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -62.47 -49.85 73.78 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.298 -0.561 . . . . 25.0 111.371 178.173 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -67.02 -38.89 86.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.794 0.665 . . . . 25.0 112.794 -179.127 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.77 -45.08 83.86 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -178.703 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.17 -34.27 68.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 177.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.628 HD22 ' HB3' ' A' ' 21' ' ' PRO . 4.7 tp -53.84 -43.53 69.56 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 122.157 -0.34 . . . . 25.0 110.833 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.74 -44.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 117.994 0.361 . . . . 25.0 111.167 177.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 C--N 1.325 -0.5 0 CA-C-O 121.716 0.77 . . . . 25.0 109.298 179.977 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HB3' HD22 ' A' ' 61' ' ' LEU . 30.1 Cg_endo . . . . . 0 C--O 1.217 -0.562 0 CA-C-O 120.546 0.144 . . . . 25.0 111.904 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.95 87.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.63 0.253 . . . . 25.0 111.058 179.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.58 -41.51 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.546 -0.752 . . . . 25.0 110.782 -177.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.77 -39.15 90.74 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.47 -0.492 . . . . 25.0 110.357 -179.118 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -43.21 93.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.592 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -64.87 -46.19 82.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.227 0.537 . . . . 25.0 111.201 -177.611 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -60.67 -48.37 82.07 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.892 -0.595 . . . . 25.0 110.162 178.08 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.89 -34.63 78.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.445 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.5 -15.37 56.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -109.62 102.18 49.02 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -173.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.73 -25.07 46.72 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 N-CA-C 115.101 1.154 . . . . 25.0 115.101 -177.306 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -77.63 -44.35 28.48 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.726 -0.608 . . . . 25.0 110.839 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.83 76.77 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 -175.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -30.41 69.95 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.491 -0.756 . . . . 25.0 111.106 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -74.32 -46.75 38.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.642 0.377 . . . . 25.0 110.809 179.147 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.05 -29.85 70.77 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 119.921 -0.712 . . . . 25.0 109.987 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.67 -42.2 74.48 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.06 -26.27 66.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 119.779 -0.768 . . . . 25.0 110.703 175.048 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.75 -53.42 8.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -80.7 -29.47 36.46 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.07 1.878 . . . . 25.0 116.07 -175.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.09 69.22 41.72 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -55.86 -35.76 94.4 Favored 'Trans proline' 0 CA--C 1.552 1.404 0 N-CA-C 118.424 2.432 . . . . 25.0 118.424 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.05 -28.92 28.08 Favored 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 112.519 -4.52 . . . . 25.0 115.817 178.016 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -75.49 -35.58 60.78 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.204 . . . . 25.0 108.324 175.344 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.17 77.24 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.203 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.29 -31.37 69.06 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.205 0.911 . . . . 25.0 111.384 -177.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.23 96.87 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.092 0.472 . . . . 25.0 110.743 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.75 -44.13 67.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.604 -0.726 . . . . 25.0 110.506 178.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.36 -29.7 70.96 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.781 0.801 . . . . 25.0 110.213 -175.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.41 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . 15.4 t -76.31 -18.7 58.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.984 -1.007 . . . . 25.0 112.315 -178.114 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.78 -23.68 18.84 Favored Glycine 0 C--O 1.23 -0.143 0 N-CA-C 114.873 0.709 . . . . 25.0 114.873 174.667 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 29.3 t0 -68.83 114.66 7.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.989 0.423 . . . . 25.0 111.764 -178.052 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.74 -34.99 79.12 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.81 -51.69 68.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.563 -178.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HG2' ' HB3' ' A' ' 53' ' ' ASP . 15.2 ptmt -67.03 -35.44 79.9 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 119.866 -0.734 . . . . 25.0 110.731 178.577 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.82 -50.27 72.96 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 120.586 -0.446 . . . . 25.0 110.767 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -62.44 -43.0 99.87 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.067 0.547 . . . . 25.0 111.788 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -62.78 -45.31 93.25 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 116.247 -0.433 . . . . 25.0 110.228 -178.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.38 -32.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -57.24 -47.56 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.924 -0.485 . . . . 25.0 111.861 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.57 -34.36 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.048 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 . . . . . 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 25.0 108.989 176.079 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.697 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.7 Cg_endo . . . . . 0 C--O 1.215 -0.64 0 CA-C-O 120.347 0.061 . . . . 25.0 112.104 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.41 93.17 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.391 -0.193 . . . . 25.0 110.829 -179.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.68 -38.41 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.086 -0.339 . . . . 25.0 110.086 -177.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.8 -40.95 92.42 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.967 -0.293 . . . . 25.0 110.507 179.363 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.24 -44.68 92.34 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 176.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -43.55 93.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.089 -0.505 . . . . 25.0 112.357 -177.305 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.02 -43.48 98.59 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.996 0.426 . . . . 25.0 110.998 176.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.23 -40.24 93.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.259 -0.428 . . . . 25.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.38 -33.34 75.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.94 0.4 . . . . 25.0 110.62 178.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.0 -16.38 47.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -113.35 107.38 53.63 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.32 0.859 . . . . 25.0 113.32 -171.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.83 -30.5 40.52 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 N-CA-C 116.537 1.706 . . . . 25.0 116.537 -174.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -76.08 -37.39 58.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.643 1.211 . . . . 25.0 110.369 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.34 58.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.184 -0.917 . . . . 25.0 109.588 -174.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -30.5 61.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.346 -0.388 . . . . 25.0 111.221 175.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.4 p -74.76 -40.25 61.32 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 122.259 -0.275 . . . . 25.0 111.268 -179.15 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.22 -31.76 73.08 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.094 0.949 . . . . 25.0 109.444 176.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.19 -43.95 80.87 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.736 -1.12 . . . . 25.0 112.121 -177.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.2 -29.56 68.44 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.087 -0.645 . . . . 25.0 111.427 175.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.36 -51.93 13.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -91.89 -23.69 19.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.812 1.782 . . . . 25.0 115.812 -174.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -135.97 66.3 61.07 Favored Pre-proline 0 N--CA 1.482 1.168 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 177.651 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.37 -35.18 83.5 Favored 'Trans proline' 0 CA--C 1.555 1.532 0 N-CA-C 118.912 2.62 . . . . 25.0 118.912 -178.336 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.17 -31.85 22.28 Favored 'Trans proline' 0 C--N 1.361 1.214 1 C-N-CA 112.653 -4.432 . . . . 25.0 115.728 178.16 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -75.45 -31.34 60.27 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 175.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -63.99 -49.38 72.69 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.658 -0.687 . . . . 25.0 112.641 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -32.14 70.27 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.153 0.888 . . . . 25.0 110.888 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.69 -43.99 97.39 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.634 -0.712 . . . . 25.0 112.268 174.569 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.99 -43.38 87.94 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.315 -0.857 . . . . 25.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 16.3 mt -63.41 -32.41 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.307 0.575 . . . . 25.0 110.668 -174.728 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.8 m -70.31 -24.61 63.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.529 -0.759 . . . . 25.0 111.88 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.31 -15.63 38.77 Favored Glycine 0 CA--C 1.518 0.225 0 CA-C-N 116.312 -0.403 . . . . 25.0 112.224 -177.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.418 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 50.0 t0 -65.94 113.63 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 25.0 110.95 -179.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -65.7 -36.3 83.24 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 177.183 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.83 -52.04 67.13 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.894 -0.504 . . . . 25.0 110.866 -177.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.0 ptmt -66.21 -36.5 83.2 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.727 -0.654 . . . . 25.0 109.378 179.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 57.5 t80 -61.61 -52.08 65.84 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 118.383 0.538 . . . . 25.0 112.145 176.274 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.4 t -63.63 -38.45 91.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.157 0.503 . . . . 25.0 112.054 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -48.58 72.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.695 -0.483 . . . . 25.0 109.695 -178.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.26 33.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 -178.48 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.9 tp -59.83 -47.72 84.56 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.782 -0.574 . . . . 25.0 111.206 178.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.19 -34.08 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.253 -0.579 . . . . 25.0 110.886 -178.821 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--N 1.321 -0.666 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 175.54 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.1 m . . . . . 0 N--CA 1.528 3.446 0 CA-C-O 122.936 1.35 . . . . 25.0 113.535 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -76.82 133.76 39.27 Favored 'General case' 0 C--N 1.333 -0.117 0 N-CA-C 107.352 -1.351 . . . . 25.0 107.352 176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -140.73 167.82 21.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.113 -1.44 . . . . 25.0 107.113 -176.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.6 p -149.34 167.43 26.13 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.051 -1.462 . . . . 25.0 107.051 178.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -138.6 154.86 48.71 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 106.205 -1.776 . . . . 25.0 106.205 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.0 m -93.56 163.54 13.52 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.21 -0.663 . . . . 25.0 109.21 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -127.93 71.39 78.55 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-O 121.134 0.492 . . . . 25.0 110.744 176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_endo -74.65 178.09 7.58 Favored 'Trans proline' 0 C--N 1.347 0.475 0 N-CA-C 110.571 -0.588 . . . . 25.0 110.571 174.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.06 25.26 3.64 Favored Glycine 0 C--O 1.223 -0.577 0 N-CA-C 115.118 0.807 . . . . 25.0 115.118 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -88.45 30.09 0.92 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.955 0.883 . . . . 25.0 111.344 -178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.2 mm -72.01 -7.33 9.2 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.351 0 CA-C-O 123.334 1.54 . . . . 25.0 112.118 -177.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.7 p -133.53 78.87 1.8 Allowed 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 113.487 -1.688 . . . . 25.0 112.397 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -127.03 0.89 6.55 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.619 -1.173 . . . . 25.0 114.067 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.6 m 43.74 51.54 7.74 Favored Pre-proline 0 N--CA 1.484 1.236 0 N-CA-C 114.366 1.247 . . . . 25.0 114.366 -175.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -73.1 -20.11 22.07 Favored 'Trans proline' 0 C--N 1.35 0.605 0 N-CA-C 115.995 1.498 . . . . 25.0 115.995 -169.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -80.4 22.79 0.53 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.39 29.7 75.32 Favored Glycine 0 C--O 1.225 -0.436 0 C-N-CA 120.931 -0.652 . . . . 25.0 112.087 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 70.9 mt -66.92 -36.88 83.25 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.778 0.799 . . . . 25.0 110.591 -176.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -85.5 -19.61 30.94 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.567 -1.197 . . . . 25.0 110.269 -178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -123.58 77.99 55.39 Favored Pre-proline 0 C--O 1.243 0.75 0 N-CA-C 112.5 0.556 . . . . 25.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.597 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.9 Cg_endo -60.62 -27.33 84.64 Favored 'Trans proline' 0 C--O 1.219 -0.433 0 N-CA-C 113.175 0.413 . . . . 25.0 113.175 177.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.81 -45.92 91.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.868 0.366 . . . . 25.0 110.192 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.7 mt -72.49 -39.29 67.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.733 -0.667 . . . . 25.0 110.688 -178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.6 tp -65.77 -42.23 91.1 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.76 -0.376 . . . . 25.0 110.508 -179.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.6 ttp180 -58.33 -43.85 88.42 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 108.46 -0.941 . . . . 25.0 108.46 177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.34 -46.63 85.73 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.199 -0.455 . . . . 25.0 111.638 -178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.65 -42.98 99.66 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 120.804 0.335 . . . . 25.0 110.999 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.401 HD23 ' HB3' ' A' ' 34' ' ' GLU . 12.7 mt -64.01 -42.65 97.07 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.428 -0.351 . . . . 25.0 111.337 -178.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 mt -62.92 -35.12 79.03 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.913 0.387 . . . . 25.0 110.071 179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.11 -10.98 59.01 Favored 'General case' 0 CA--C 1.54 0.581 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 -116.79 101.9 53.33 Favored Pre-proline 0 C--N 1.329 -0.322 0 N-CA-C 112.641 0.608 . . . . 25.0 112.641 -173.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -66.49 -24.74 48.85 Favored 'Trans proline' 0 C--N 1.346 0.401 0 N-CA-C 115.646 1.364 . . . . 25.0 115.646 -176.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -76.04 -43.35 44.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.731 0.777 . . . . 25.0 110.455 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.401 ' HB3' HD23 ' A' ' 28' ' ' LEU . 4.9 mm-40 -70.9 -41.08 71.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.451 -0.795 . . . . 25.0 108.88 -174.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.04 -30.3 71.26 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 121.916 -0.49 . . . . 25.0 110.872 178.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -74.67 -41.03 61.04 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 122.869 0.468 . . . . 25.0 111.412 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 pp -68.77 -33.73 74.38 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 178.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.2 tp -64.68 -44.23 90.99 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.366 -0.834 . . . . 25.0 112.048 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -69.02 -26.24 64.89 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 119.925 -0.71 . . . . 25.0 112.596 175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -76.67 -51.89 10.68 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.242 0.544 . . . . 25.0 110.863 177.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -82.37 -34.09 28.53 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.75 1.389 . . . . 25.0 114.75 -175.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -135.19 69.05 69.72 Favored Pre-proline 0 C--O 1.243 0.715 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -175.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -55.4 -35.8 92.6 Favored 'Trans proline' 0 CA--C 1.551 1.33 0 N-CA-C 118.394 2.421 . . . . 25.0 118.394 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.22 -29.37 26.57 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.5 -4.534 . . . . 25.0 115.84 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 33.9 tp -75.51 -35.44 60.76 Favored 'General case' 0 N--CA 1.466 0.329 0 O-C-N 120.658 -1.276 . . . . 25.0 108.09 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.77 -47.67 82.49 Favored 'General case' 0 C--O 1.209 -1.057 0 CA-C-N 115.604 -0.725 . . . . 25.0 112.75 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -61.46 -31.29 71.25 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.929 0.786 . . . . 25.0 110.974 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.23 90.32 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.245 -0.434 . . . . 25.0 110.369 175.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -69.48 -42.46 74.8 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.362 -0.381 . . . . 25.0 110.507 176.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.76 -27.27 69.08 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.555 0.693 . . . . 25.0 110.343 -175.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.2 t -78.19 -17.53 56.66 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.05 -0.977 . . . . 25.0 112.353 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.03 -31.82 4.24 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 114.757 0.663 . . . . 25.0 114.757 177.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -58.43 109.89 0.87 Allowed 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.783 0.833 . . . . 25.0 112.466 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.42 -36.66 83.08 Favored 'General case' 0 C--O 1.214 -0.786 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 177.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -57.83 -44.07 86.21 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 121.776 -0.578 . . . . 25.0 112.307 -178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -75.22 -34.55 61.48 Favored 'General case' 0 C--O 1.219 -0.528 0 O-C-N 121.668 -0.645 . . . . 25.0 110.1 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -60.8 -49.88 75.72 Favored 'General case' 0 C--O 1.218 -0.599 0 C-N-CA 120.555 -0.458 . . . . 25.0 110.004 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 40.1 t -62.92 -43.52 98.57 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 112.606 0.595 . . . . 25.0 112.606 177.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -58.72 -47.7 83.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.767 0.318 . . . . 25.0 110.18 -179.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 58.3 t -71.03 -32.6 48.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.308 -0.627 . . . . 25.0 109.308 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.597 HD22 ' HB3' ' A' ' 21' ' ' PRO . 3.1 tp -57.12 -44.57 83.44 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 121.872 -0.517 . . . . 25.0 110.493 178.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.5 t -68.13 -43.16 85.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.443 0 CA-C-O 120.655 0.264 . . . . 25.0 110.514 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.8 mt-10 -59.7 -41.88 91.74 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-O 121.276 0.56 . . . . 25.0 110.185 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -67.12 -37.88 84.64 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.389 -0.369 . . . . 25.0 110.896 177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -66.18 -37.4 85.51 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.841 -0.537 . . . . 25.0 110.905 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -63.45 -43.49 97.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.102 0.477 . . . . 25.0 109.749 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -69.69 -36.93 76.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.961 0.41 . . . . 25.0 111.52 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -60.36 -52.55 64.76 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 107.317 -1.364 . . . . 25.0 107.317 175.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.33 -31.0 67.13 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -175.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -63.94 -43.6 95.37 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 118.179 0.445 . . . . 25.0 110.007 -177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -86.1 -33.51 20.91 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.255 0.835 . . . . 25.0 113.255 177.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -37.96 85.54 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 122.231 -0.293 . . . . 25.0 110.293 -175.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -57.79 -35.56 70.99 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.82 0.304 . . . . 25.0 111.82 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -69.34 -39.64 78.04 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.155 0.503 . . . . 25.0 109.948 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -71.39 -44.15 65.51 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.941 0.719 . . . . 25.0 112.941 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.2 pt -69.32 -18.85 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 N-CA-C 111.941 0.349 . . . . 25.0 111.941 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 -68.18 -18.93 64.73 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 121.351 -0.14 . . . . 25.0 111.0 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.98 -52.11 5.45 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.936 -0.765 . . . . 25.0 108.936 178.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 55.0 p90 -158.66 150.28 20.98 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -167.03 95.19 0.49 Allowed 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 122.328 0.251 . . . . 25.0 111.6 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -158.92 31.44 0.21 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -117.86 97.26 50.6 Favored Pre-proline 0 CA--C 1.546 0.804 0 N-CA-C 113.451 0.908 . . . . 25.0 113.451 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -87.12 164.64 8.54 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 120.379 0.72 . . . . 25.0 111.976 176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -145.24 4.86 1.08 Allowed 'General case' 0 N--CA 1.474 0.766 0 CA-C-O 122.565 1.174 . . . . 25.0 112.723 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -123.97 56.82 1.22 Allowed 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 113.735 -1.575 . . . . 25.0 110.935 -163.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.1 mt -59.71 -26.77 65.89 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.994 0.738 . . . . 25.0 112.994 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -78.83 -26.64 44.22 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 116.624 -0.262 . . . . 25.0 111.197 178.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 29.75 56.1 0.15 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.629 1.571 . . . . 25.0 114.495 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 23.9 pt20 -59.3 143.14 50.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.251 -0.886 . . . . 25.0 112.905 -174.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -143.22 165.18 28.15 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.161 -1.422 . . . . 25.0 107.161 177.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.35 166.89 24.27 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.329 -1.36 . . . . 25.0 107.329 177.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.1 mt -121.91 122.76 67.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 101.208 -3.627 . . . . 25.0 101.208 174.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -113.74 155.46 25.56 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.647 -0.872 . . . . 25.0 108.647 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -154.37 155.99 36.05 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 107.041 -1.466 . . . . 25.0 107.041 -175.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -141.3 73.67 1.43 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.243 1.02 . . . . 25.0 110.182 176.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 31.7 pt -91.12 33.31 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.341 -0.845 . . . . 25.0 111.099 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.4 mmt85 -82.64 55.83 3.13 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.478 0.656 . . . . 25.0 111.502 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 127.062 2.145 . . . . 25.0 113.193 179.235 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.0 p . . . . . 0 N--CA 1.496 1.831 0 N-CA-C 114.731 1.382 . . . . 25.0 114.731 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 57.19 36.26 27.25 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.743 1.217 . . . . 25.0 109.971 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -75.21 141.87 43.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.14 -0.936 . . . . 25.0 110.792 -176.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.0 m -118.34 160.92 20.8 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.137 0.575 . . . . 25.0 110.133 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -97.22 -31.98 12.16 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.021 1.119 . . . . 25.0 114.021 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 49.08 39.66 15.58 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.367 0.877 . . . . 25.0 113.367 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.4 m -115.98 144.19 32.31 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 -178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.8 Cg_endo -78.46 171.16 17.29 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 118.118 -0.788 . . . . 25.0 112.103 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -122.55 30.18 5.22 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.698 -0.961 . . . . 25.0 110.698 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -74.44 31.79 0.09 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 115.949 1.833 . . . . 25.0 115.949 -172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.409 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -85.84 21.77 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-O 122.234 1.016 . . . . 25.0 109.12 173.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.5 p -66.77 141.19 57.81 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 122.344 1.068 . . . . 25.0 112.958 -172.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -89.82 -7.94 53.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.477 -0.783 . . . . 25.0 110.673 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.61 -47.59 98.71 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 114.633 1.346 . . . . 25.0 114.633 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -71.9 -24.78 20.62 Favored 'Trans proline' 0 C--N 1.361 1.225 0 C-N-CA 114.774 -3.018 . . . . 25.0 113.821 178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -69.03 -31.91 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.03 -8.62 61.74 Favored Glycine 0 CA--C 1.521 0.451 0 CA-C-N 115.329 -0.85 . . . . 25.0 114.311 177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.5 mt -76.71 -35.23 57.97 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 118.113 0.957 . . . . 25.0 108.999 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -78.76 -32.68 46.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 122.655 1.217 . . . . 25.0 107.957 178.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -117.47 82.55 15.52 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 114.955 -1.021 . . . . 25.0 112.733 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.581 ' HB3' HD22 ' A' ' 61' ' ' LEU . 39.4 Cg_endo -62.09 -25.99 77.83 Favored 'Trans proline' 0 C--N 1.355 0.876 0 CA-C-O 121.111 0.379 . . . . 25.0 112.007 175.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.03 -43.02 99.74 Favored 'General case' 0 C--N 1.33 -0.266 0 O-C-N 122.007 -0.433 . . . . 25.0 110.547 178.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.7 mt -78.32 -34.46 48.59 Favored 'General case' 0 C--O 1.216 -0.709 0 CA-C-N 116.459 -0.337 . . . . 25.0 111.244 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.3 tp -65.23 -40.18 93.7 Favored 'General case' 0 C--O 1.219 -0.548 0 N-CA-C 109.678 -0.49 . . . . 25.0 109.678 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -59.53 -41.86 90.97 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 108.94 -0.763 . . . . 25.0 108.94 176.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -66.56 -46.26 76.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.03 0.443 . . . . 25.0 111.069 -178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 55.1 ttp -62.56 -41.17 98.74 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.739 178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.4 mt -65.1 -42.37 94.06 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.697 0.284 . . . . 25.0 111.452 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.3 mt -63.85 -36.42 83.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.335 0.588 . . . . 25.0 110.439 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.98 60.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.728 -0.669 . . . . 25.0 112.396 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -114.14 99.1 50.06 Favored Pre-proline 0 C--O 1.238 0.452 0 N-CA-C 112.478 0.548 . . . . 25.0 112.478 -174.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -64.92 -26.47 59.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 N-CA-C 115.583 1.34 . . . . 25.0 115.583 -176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -77.02 -40.65 45.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.863 0.839 . . . . 25.0 110.946 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.82 -34.06 69.02 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-O 121.701 0.763 . . . . 25.0 109.271 -177.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.72 -30.77 61.63 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 121.593 -0.692 . . . . 25.0 111.221 178.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.1 p -75.78 -39.5 56.89 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 122.154 -0.341 . . . . 25.0 111.783 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.96 -31.57 72.23 Favored 'General case' 0 CA--C 1.49 -1.336 0 N-CA-C 108.923 -0.769 . . . . 25.0 108.923 175.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.7 tp -66.43 -43.23 86.25 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.409 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -68.95 -26.79 65.24 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 120.236 -0.586 . . . . 25.0 111.668 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -75.52 -52.97 9.43 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.175 0.512 . . . . 25.0 111.584 175.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.4 mtp85 -90.28 -24.65 20.85 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 115.775 1.768 . . . . 25.0 115.775 -170.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.89 67.21 41.68 Favored Pre-proline 0 C--O 1.241 0.618 0 N-CA-C 112.794 0.664 . . . . 25.0 112.794 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_endo -56.31 -33.65 91.92 Favored 'Trans proline' 0 CA--C 1.547 1.154 0 N-CA-C 118.362 2.409 . . . . 25.0 118.362 -177.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -68.4 -29.44 31.38 Favored 'Trans proline' 0 C--N 1.363 1.321 1 C-N-CA 112.049 -4.834 . . . . 25.0 115.203 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -76.98 -36.0 56.77 Favored 'General case' 0 N--CA 1.464 0.233 0 O-C-N 120.963 -1.086 . . . . 25.0 108.545 175.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.83 -50.32 73.93 Favored 'General case' 0 C--O 1.211 -0.966 0 C-N-CA 120.097 -0.641 . . . . 25.0 112.231 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -58.68 -30.77 67.63 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.732 0.696 . . . . 25.0 111.199 -177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -65.39 -39.79 92.66 Favored 'General case' 0 N--CA 1.437 -1.11 0 CA-C-N 116.107 -0.497 . . . . 25.0 110.655 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -70.21 -45.94 65.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.838 -0.619 . . . . 25.0 110.168 177.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 mt -63.96 -30.45 71.53 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-O 121.907 0.86 . . . . 25.0 110.266 -174.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.1 t -73.53 -18.95 61.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.024 -0.989 . . . . 25.0 112.327 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.33 -20.72 15.83 Favored Glycine 0 CA--C 1.517 0.2 0 N-CA-C 113.993 0.357 . . . . 25.0 113.993 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -70.66 112.12 6.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.145 0.497 . . . . 25.0 111.701 -177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -62.75 -34.4 77.13 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -56.35 -52.02 66.13 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.557 0.694 . . . . 25.0 110.178 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -69.88 -34.88 74.15 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 119.817 -0.753 . . . . 25.0 110.666 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.459 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 81.0 t80 -61.87 -50.62 71.52 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 118.164 0.438 . . . . 25.0 111.196 178.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.9 t -61.67 -42.6 99.14 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.797 0.439 . . . . 25.0 111.577 178.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -60.66 -49.05 79.08 Favored 'General case' 0 N--CA 1.468 0.462 0 O-C-N 121.661 -0.649 . . . . 25.0 110.045 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.19 -32.2 54.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 N-CA-C 108.97 -0.752 . . . . 25.0 108.97 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.9 tp -57.93 -43.69 86.43 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.727 -0.389 . . . . 25.0 111.208 178.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 66.9 t -67.82 -42.32 85.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 120.993 0.425 . . . . 25.0 110.393 179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -60.97 -39.58 90.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.604 0.716 . . . . 25.0 109.269 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.3 mm-40 -72.65 -35.05 67.65 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 116.282 -0.417 . . . . 25.0 110.856 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 60.3 mt-30 -64.21 -35.66 81.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 118.407 0.549 . . . . 25.0 109.923 177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -62.88 -41.11 99.29 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.923 -0.311 . . . . 25.0 110.641 177.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -69.97 -38.97 76.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-O 121.704 0.764 . . . . 25.0 110.704 177.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -61.43 -36.27 79.89 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-O 118.573 -0.727 . . . . 25.0 110.519 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.03 -31.74 70.24 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.145 0.498 . . . . 25.0 111.725 178.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.1 mtp180 -69.01 -37.93 78.96 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.856 0.836 . . . . 25.0 109.778 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -81.1 -27.33 35.65 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.232 -0.895 . . . . 25.0 110.773 -177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.3 -29.19 68.68 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 114.806 -1.088 . . . . 25.0 110.732 -179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -56.82 -33.77 67.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.993 0.425 . . . . 25.0 111.545 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -75.24 -34.28 61.4 Favored 'General case' 0 C--O 1.215 -0.734 0 O-C-N 121.841 -0.537 . . . . 25.0 111.615 176.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.5 mtt-85 -71.03 -41.0 71.4 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.174 0.435 . . . . 25.0 112.174 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.0 pt -68.52 -14.84 18.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-O 120.699 0.285 . . . . 25.0 111.434 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -58.69 -37.67 76.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.138 -0.69 . . . . 25.0 109.138 174.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 14.7 tp 54.41 -176.54 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.299 1.44 . . . . 25.0 113.674 176.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.404 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 20.0 m-85 61.64 -19.65 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 117.821 2.526 . . . . 25.0 117.821 177.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.6 m -152.62 27.61 0.56 Allowed 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 177.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -141.15 18.99 2.27 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 107.21 -1.404 . . . . 25.0 107.21 -177.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -68.72 153.72 95.55 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 113.059 -1.882 . . . . 25.0 110.942 -170.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_endo -72.48 161.56 43.87 Favored 'Trans proline' 0 C--N 1.347 0.482 0 N-CA-C 114.569 0.95 . . . . 25.0 114.569 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -113.16 20.75 15.97 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.942 -1.026 . . . . 25.0 108.496 179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -84.39 58.88 5.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 122.344 1.069 . . . . 25.0 108.637 -178.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.6 mt -69.64 -23.39 63.48 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.686 -1.143 . . . . 25.0 112.08 -174.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -72.83 -25.2 61.04 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.914 -0.585 . . . . 25.0 110.195 176.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -88.31 30.56 0.87 Allowed 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 123.37 0.668 . . . . 25.0 112.397 -177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -111.08 156.48 21.26 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.672 0.619 . . . . 25.0 112.672 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 67.11 174.78 0.25 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.509 1.523 . . . . 25.0 114.924 177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.0 tttt 66.95 156.52 0.11 Allowed 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 113.521 -1.672 . . . . 25.0 112.752 -174.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.9 mt -138.6 132.69 41.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 102.593 -3.114 . . . . 25.0 102.593 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -88.38 162.59 16.45 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.539 -0.541 . . . . 25.0 109.539 179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -98.22 127.86 44.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.4 0.619 . . . . 25.0 110.187 179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -118.27 85.23 2.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 122.276 1.036 . . . . 25.0 109.068 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.2 pt -95.59 19.12 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.041 -0.981 . . . . 25.0 110.651 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.8 ttt-85 -80.66 51.83 1.57 Allowed 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 122.508 1.147 . . . . 25.0 112.388 -174.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 . . . . . 0 C--O 1.211 -0.927 0 CA-C-O 123.342 1.544 . . . . 25.0 111.715 175.857 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -152.19 44.34 0.72 Allowed 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 60.41 -150.99 0.41 Allowed 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 -174.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.9 m 59.22 23.5 11.85 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -75.73 135.23 40.35 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 177.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 p -152.74 167.12 30.06 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.312 -0.996 . . . . 25.0 108.312 -178.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.1 p -95.03 152.46 39.54 Favored Pre-proline 0 C--N 1.325 -0.499 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.45 169.72 21.8 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 118.079 -0.814 . . . . 25.0 112.852 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.74 -35.55 6.8 Favored Glycine 0 C--O 1.22 -0.743 0 CA-C-N 115.418 -0.81 . . . . 25.0 113.879 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 43.07 44.42 4.18 Favored 'General case' 0 N--CA 1.481 1.116 0 CA-C-O 122.634 1.207 . . . . 25.0 111.479 -176.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -84.69 -4.59 8.92 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.501 0 CA-C-O 123.621 1.676 . . . . 25.0 110.933 -170.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 74.3 p -126.49 158.96 34.74 Favored 'General case' 0 C--N 1.307 -1.24 0 CA-C-N 112.558 -2.11 . . . . 25.0 108.134 177.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.3 m -80.21 -1.59 41.22 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.611 0.597 . . . . 25.0 112.611 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.6 m -150.78 63.54 5.89 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -70.74 -23.13 26.69 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 117.814 -0.99 . . . . 25.0 113.13 -178.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -76.73 28.15 0.13 Allowed 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.207 0.817 . . . . 25.0 113.207 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.81 27.54 66.84 Favored Glycine 0 C--O 1.224 -0.475 0 N-CA-C 115.281 0.872 . . . . 25.0 115.281 177.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.1 mt -70.41 -33.76 71.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 117.575 0.687 . . . . 25.0 109.728 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -80.62 -23.29 39.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.226 1.012 . . . . 25.0 109.496 177.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -122.51 78.04 46.2 Favored Pre-proline 0 C--O 1.237 0.399 0 N-CA-C 113.839 1.052 . . . . 25.0 113.839 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.638 ' HB3' HD22 ' A' ' 61' ' ' LEU . 22.2 Cg_endo -59.0 -30.27 92.92 Favored 'Trans proline' 0 C--O 1.215 -0.63 0 N-CA-C 113.383 0.493 . . . . 25.0 113.383 175.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.49 -44.82 89.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 122.198 -0.314 . . . . 25.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.0 -38.94 66.43 Favored 'General case' 0 C--O 1.222 -0.351 0 N-CA-C 109.857 -0.423 . . . . 25.0 109.857 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.1 tp -64.56 -42.56 95.59 Favored 'General case' 0 C--O 1.219 -0.528 0 C-N-CA 120.896 -0.322 . . . . 25.0 110.333 179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -58.26 -44.99 88.61 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.764 -0.458 . . . . 25.0 109.764 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -62.7 -45.23 93.71 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 121.005 0.431 . . . . 25.0 111.155 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 64.1 ttp -64.24 -41.66 96.89 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 116.538 -0.301 . . . . 25.0 111.181 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.1 -40.68 90.95 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.763 0.316 . . . . 25.0 111.602 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.73 -36.23 82.34 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.08 0.467 . . . . 25.0 109.872 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.79 -17.13 51.88 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.111 0.782 . . . . 25.0 113.111 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -105.96 101.91 36.29 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 112.592 0.59 . . . . 25.0 112.592 -173.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.96 -26.9 43.38 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 N-CA-C 115.409 1.273 . . . . 25.0 115.409 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -76.14 -43.47 42.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.612 -0.68 . . . . 25.0 110.932 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.55 -39.84 70.41 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.152 -0.684 . . . . 25.0 109.152 -174.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.81 -30.27 71.34 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 121.745 -0.597 . . . . 25.0 110.931 177.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.4 m -74.75 -41.05 60.83 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 123.084 0.554 . . . . 25.0 111.885 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -68.02 -33.79 75.27 Favored 'General case' 0 CA--C 1.479 -1.782 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 177.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.48 -46.21 87.23 Favored 'General case' 0 N--CA 1.431 -1.416 0 CA-C-N 115.314 -0.857 . . . . 25.0 111.954 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.47 -27.23 65.96 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 120.026 -0.67 . . . . 25.0 112.407 175.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -76.39 -47.58 22.79 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.621 0.6 . . . . 25.0 112.621 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.72 -33.46 16.58 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.749 1.388 . . . . 25.0 114.749 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -133.87 69.84 75.19 Favored Pre-proline 0 N--CA 1.475 0.787 0 N-CA-C 113.463 0.912 . . . . 25.0 113.463 -175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.72 -37.03 91.77 Favored 'Trans proline' 0 CA--C 1.551 1.371 0 N-CA-C 118.533 2.474 . . . . 25.0 118.533 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_endo -69.63 -29.64 24.18 Favored 'Trans proline' 0 C--N 1.361 1.222 1 C-N-CA 112.511 -4.526 . . . . 25.0 116.096 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.2 tp -75.43 -33.46 60.91 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 120.707 -1.245 . . . . 25.0 107.943 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.09 -49.45 72.2 Favored 'General case' 0 C--O 1.206 -1.217 0 CA-C-O 118.817 -0.611 . . . . 25.0 112.477 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -59.68 -32.51 70.56 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.812 0.733 . . . . 25.0 110.698 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.5 -45.25 93.88 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 115.803 -0.635 . . . . 25.0 111.886 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.43 -42.1 92.82 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.562 -0.745 . . . . 25.0 110.081 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.3 mt -63.17 -29.92 71.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.267 0.556 . . . . 25.0 110.698 -174.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.8 m -74.47 -21.8 59.4 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.614 -0.721 . . . . 25.0 112.362 -178.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.64 -17.2 31.66 Favored Glycine 0 CA--C 1.519 0.301 0 CA-C-O 121.144 0.302 . . . . 25.0 112.971 -177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 46.3 t0 -64.84 115.27 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.036 0.446 . . . . 25.0 111.652 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -66.72 -36.46 82.52 Favored 'General case' 0 C--O 1.21 -0.976 0 N-CA-C 109.851 -0.426 . . . . 25.0 109.851 176.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -59.68 -50.63 73.12 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.841 -0.537 . . . . 25.0 111.285 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.1 ptmt -67.71 -36.77 81.24 Favored 'General case' 0 C--O 1.219 -0.535 0 N-CA-C 109.006 -0.739 . . . . 25.0 109.006 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -64.45 -50.75 66.3 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.7 t -63.6 -39.65 94.91 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.197 0.523 . . . . 25.0 110.95 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.61 -49.6 65.77 Favored 'General case' 0 CA--C 1.511 -0.538 0 N-CA-C 109.75 -0.463 . . . . 25.0 109.75 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -67.2 -29.45 45.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 108.524 -0.917 . . . . 25.0 108.524 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 21' ' ' PRO . 3.7 tp -58.11 -43.9 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 122.152 -0.342 . . . . 25.0 110.382 176.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.35 -42.76 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 N-CA-C 109.909 -0.404 . . . . 25.0 109.909 179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.98 -43.08 86.3 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.714 0.769 . . . . 25.0 109.331 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -69.5 -38.24 77.53 Favored 'General case' 0 C--O 1.212 -0.906 0 CA-C-N 115.827 -0.624 . . . . 25.0 111.58 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -64.74 -36.45 84.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.566 0.621 . . . . 25.0 110.797 178.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -62.79 -38.14 89.49 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.684 -0.406 . . . . 25.0 110.641 177.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -78.21 -40.05 38.62 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.399 0.619 . . . . 25.0 111.015 179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 32.6 mtp180 -59.36 -45.79 90.44 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.154 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.77 -34.44 62.61 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.276 0.473 . . . . 25.0 112.276 -177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.6 mtt-85 -68.65 -46.85 68.07 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-O 121.059 0.457 . . . . 25.0 110.516 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.4 mtt-85 -72.25 -29.42 63.89 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-O 122.015 0.912 . . . . 25.0 110.617 -178.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 70.2 mt-10 -70.8 -26.66 63.42 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.519 -0.764 . . . . 25.0 112.08 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.6 mm-40 -53.83 -44.95 70.68 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 120.402 -0.519 . . . . 25.0 112.093 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -75.1 -31.23 61.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.828 -0.545 . . . . 25.0 110.848 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -64.95 -49.65 69.5 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.2 pt -62.85 -18.69 21.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 N-CA-C 113.692 0.997 . . . . 25.0 113.692 -173.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -75.27 -9.78 58.87 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.446 0.535 . . . . 25.0 112.446 177.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.3 tt -140.38 -46.6 0.42 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -176.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.7 m-85 -100.84 162.04 13.18 Favored 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 123.098 0.559 . . . . 25.0 111.994 -174.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.3 m -97.25 -169.23 1.82 Allowed 'General case' 0 N--CA 1.442 -0.849 0 N-CA-C 106.069 -1.826 . . . . 25.0 106.069 172.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.54 42.07 0.97 Allowed 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.667 -0.697 . . . . 25.0 109.795 -178.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -49.02 114.81 4.07 Favored Pre-proline 0 C--O 1.238 0.493 0 N-CA-C 113.287 0.847 . . . . 25.0 113.287 -174.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -76.33 163.28 32.65 Favored 'Trans proline' 0 C--N 1.347 0.474 0 N-CA-C 113.518 0.546 . . . . 25.0 113.518 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 27.4 m-85 -107.63 17.39 22.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.625 0.726 . . . . 25.0 109.923 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -83.52 51.34 1.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.294 -0.866 . . . . 25.0 108.693 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.34 -37.51 83.38 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.695 -0.684 . . . . 25.0 109.915 -177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -80.84 -46.21 15.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.005 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 44.61 40.8 4.32 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 114.188 1.181 . . . . 25.0 114.188 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -87.9 152.01 22.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.135 -0.484 . . . . 25.0 110.889 -179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -146.97 156.24 42.89 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 106.726 -1.583 . . . . 25.0 106.726 176.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -85.26 155.54 21.34 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.099 0.476 . . . . 25.0 111.688 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 81.8 mt -128.85 108.85 17.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 105.977 -1.86 . . . . 25.0 105.977 172.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -140.39 167.81 21.28 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 106.687 -1.598 . . . . 25.0 106.687 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -74.77 126.1 30.18 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.79 1.033 . . . . 25.0 113.79 -175.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -126.92 93.95 3.9 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 106.092 -1.818 . . . . 25.0 106.092 173.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.1 pt -106.84 23.74 2.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.582 -1.19 . . . . 25.0 110.877 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.0 ptp180 -111.59 21.68 15.87 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 116.342 -0.39 . . . . 25.0 111.299 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 . . . . . 0 N--CA 1.488 1.432 0 C-N-CA 126.266 1.827 . . . . 25.0 112.72 -178.707 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.398 0 CA-C-O 123.974 1.845 . . . . 25.0 114.129 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -150.06 157.59 43.29 Favored 'General case' 0 CA--C 1.519 -0.215 0 N-CA-C 106.313 -1.736 . . . . 25.0 106.313 178.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -105.81 -27.55 11.18 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.887 -0.412 . . . . 25.0 109.887 177.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.5 m 49.2 36.87 9.91 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 114.726 1.38 . . . . 25.0 114.726 176.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -76.7 147.11 37.62 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.608 -0.515 . . . . 25.0 109.608 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.2 t -144.84 149.62 35.71 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 16.8 m -146.85 74.72 12.15 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 111.884 0.327 . . . . 25.0 111.884 -178.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -75.58 164.99 31.33 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 118.044 -0.838 . . . . 25.0 112.192 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.77 -20.05 0.89 Allowed Glycine 0 C--O 1.226 -0.369 0 CA-C-N 115.285 -0.87 . . . . 25.0 114.028 -179.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -82.14 28.49 0.44 Allowed 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.128 0.788 . . . . 25.0 113.128 -177.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.417 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -77.57 10.65 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.971 0 C-N-CA 124.022 0.929 . . . . 25.0 112.293 179.623 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.9 p -78.75 84.17 4.84 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.941 0.876 . . . . 25.0 111.106 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 17.8 t -162.28 -162.46 0.82 Allowed 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 105.082 -2.192 . . . . 25.0 105.082 -177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.8 p -112.9 62.47 0.73 Allowed Pre-proline 0 CA--C 1.541 0.63 0 N-CA-C 111.762 0.282 . . . . 25.0 111.762 174.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -69.71 -16.22 37.68 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 116.283 -2.012 . . . . 25.0 113.249 -177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -76.96 15.65 0.65 Allowed 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 113.335 0.865 . . . . 25.0 113.335 178.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 67.77 28.61 73.48 Favored Glycine 0 N--CA 1.458 0.125 0 N-CA-C 115.529 0.972 . . . . 25.0 115.529 173.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.3 mt -69.08 -30.91 69.33 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.344 1.069 . . . . 25.0 109.208 -179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -85.55 -27.07 25.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 113.495 -1.684 . . . . 25.0 111.718 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -125.09 78.97 66.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-O 121.066 0.46 . . . . 25.0 111.811 -179.388 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.667 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.8 Cg_endo -60.37 -28.58 87.05 Favored 'Trans proline' 0 C--O 1.216 -0.61 0 N-CA-C 113.377 0.491 . . . . 25.0 113.377 176.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.01 95.47 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.955 -0.298 . . . . 25.0 110.581 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 65.9 mt -77.83 -34.48 51.92 Favored 'General case' 0 C--O 1.22 -0.451 0 CA-C-N 116.192 -0.458 . . . . 25.0 110.673 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 56.3 tp -66.1 -41.33 90.77 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 120.419 -0.513 . . . . 25.0 110.242 178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -59.17 -42.86 91.78 Favored 'General case' 0 C--O 1.217 -0.648 0 N-CA-C 108.262 -1.014 . . . . 25.0 108.262 177.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.74 -45.53 86.08 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.79 -178.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.89 -48.25 82.47 Favored 'General case' 0 C--O 1.219 -0.521 0 CA-C-O 121.033 0.444 . . . . 25.0 110.292 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 HD23 ' HB3' ' A' ' 34' ' ' GLU . 37.5 mt -60.23 -43.14 96.29 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.9 -0.591 . . . . 25.0 111.55 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.26 -34.71 78.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.808 0.337 . . . . 25.0 110.518 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.01 -8.19 59.59 Favored 'General case' 0 CA--C 1.541 0.635 0 N-CA-C 112.699 0.629 . . . . 25.0 112.699 178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -119.38 99.29 50.27 Favored Pre-proline 0 C--O 1.238 0.469 0 N-CA-C 112.348 0.499 . . . . 25.0 112.348 -175.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -65.28 -24.71 57.77 Favored 'Trans proline' 0 CA--C 1.532 0.392 0 N-CA-C 115.345 1.248 . . . . 25.0 115.345 -176.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 74.7 t60 -76.49 -42.65 42.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.618 0.723 . . . . 25.0 110.788 178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' HB3' HD23 ' A' ' 28' ' ' LEU . 7.6 mm-40 -72.14 -37.94 69.32 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.513 -0.767 . . . . 25.0 109.466 -174.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.53 -29.33 68.7 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 121.969 -0.457 . . . . 25.0 110.221 176.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -73.29 -45.93 52.68 Favored 'General case' 0 C--O 1.217 -0.643 0 C-N-CA 122.678 0.391 . . . . 25.0 111.089 178.596 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -63.8 -29.92 71.07 Favored 'General case' 0 CA--C 1.491 -1.295 0 O-C-N 121.087 -1.008 . . . . 25.0 110.318 178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.67 -43.43 80.22 Favored 'General case' 0 N--CA 1.43 -1.472 0 CA-C-N 114.59 -1.186 . . . . 25.0 112.619 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -70.37 -28.22 64.93 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 119.677 -0.809 . . . . 25.0 111.217 175.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -72.87 -52.03 16.37 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.032 0.444 . . . . 25.0 111.116 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.6 mtm-85 -90.39 -25.97 20.13 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 116.159 1.911 . . . . 25.0 116.159 -174.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -136.87 68.72 58.24 Favored Pre-proline 0 N--CA 1.475 0.822 0 N-CA-C 113.411 0.893 . . . . 25.0 113.411 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -55.29 -35.37 91.22 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.604 2.502 . . . . 25.0 118.604 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -68.86 -28.86 29.27 Favored 'Trans proline' 0 C--N 1.362 1.246 1 C-N-CA 112.411 -4.593 . . . . 25.0 115.681 177.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.7 tp -75.68 -34.4 60.43 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.205 . . . . 25.0 108.174 175.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.8 -48.9 78.55 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 112.917 0.71 . . . . 25.0 112.917 178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -59.8 -31.39 69.65 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.952 0.797 . . . . 25.0 111.045 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.441 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.48 -38.7 91.93 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 116.048 -0.524 . . . . 25.0 110.616 177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 18.1 tp -68.17 -42.51 79.9 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.108 -0.496 . . . . 25.0 110.172 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.8 mt -63.82 -27.97 69.54 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.129 0.49 . . . . 25.0 111.154 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.6 m -75.22 -20.44 59.25 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.727 -0.669 . . . . 25.0 112.21 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.5 -29.34 4.47 Favored Glycine 0 CA--C 1.52 0.402 0 CA-C-O 121.192 0.329 . . . . 25.0 112.601 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -55.21 102.07 0.06 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.729 1.212 . . . . 25.0 112.103 178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -61.28 -35.35 77.08 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 107.591 -1.263 . . . . 25.0 107.591 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -58.2 -44.98 88.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.361 0.504 . . . . 25.0 112.361 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -76.74 -31.91 57.43 Favored 'General case' 0 C--O 1.212 -0.889 0 CA-C-N 119.05 0.841 . . . . 25.0 110.299 178.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.434 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 82.6 t80 -60.31 -51.72 68.33 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.606 -0.438 . . . . 25.0 110.301 176.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.1 t -63.3 -38.97 93.25 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.867 0.365 . . . . 25.0 111.556 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -61.01 -49.03 79.07 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 110.368 -0.234 . . . . 25.0 110.368 178.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.8 t -68.92 -34.31 63.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 121.488 -0.757 . . . . 25.0 108.968 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.667 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.3 tp -57.3 -46.15 83.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 122.086 -0.384 . . . . 25.0 111.186 178.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -74.4 -35.05 38.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.404 0 C-N-CA 120.436 -0.506 . . . . 25.0 111.199 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -61.37 -42.1 98.16 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.54 -0.725 . . . . 25.0 109.896 176.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 89.3 mm-40 -64.28 -40.43 95.95 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.916 -0.402 . . . . 25.0 109.916 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -65.92 -36.89 84.61 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 120.519 -0.472 . . . . 25.0 111.391 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -63.59 -43.05 98.08 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.118 -0.364 . . . . 25.0 110.571 177.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -67.2 -40.0 86.4 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.314 0.578 . . . . 25.0 110.402 178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.6 mtp180 -61.16 -40.43 93.83 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 121.932 -0.48 . . . . 25.0 110.136 178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.99 -31.95 72.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.089 0.471 . . . . 25.0 111.499 177.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -29.93 64.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.305 -0.872 . . . . 25.0 109.74 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.1 mtt180 -75.09 -35.62 61.77 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 109.429 -0.582 . . . . 25.0 109.429 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -61.4 -30.56 70.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.892 -0.595 . . . . 25.0 111.978 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -57.79 -37.4 73.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 122.247 -0.283 . . . . 25.0 111.4 175.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 81.9 mm-40 -75.21 -28.9 60.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.177 0.513 . . . . 25.0 110.957 175.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.9 mtp85 -68.82 -44.07 74.23 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 121.41 -0.806 . . . . 25.0 111.97 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.6 pt -71.97 -15.66 18.21 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 121.155 0.502 . . . . 25.0 111.338 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 62.6 ttt180 -65.27 -16.2 63.31 Favored 'General case' 0 N--CA 1.466 0.373 0 C-N-CA 123.128 0.571 . . . . 25.0 112.265 178.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 61.7 tp 65.94 -52.76 0.39 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.212 1.805 . . . . 25.0 115.514 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -77.14 131.57 38.38 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 107.696 -1.224 . . . . 25.0 107.696 178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 25.4 m 58.55 27.89 16.28 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 113.612 0.967 . . . . 25.0 113.612 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.19 52.42 2.19 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-O 121.319 0.581 . . . . 25.0 110.476 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.31 136.7 95.76 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 116.322 -0.399 . . . . 25.0 109.989 -178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -77.84 159.43 31.17 Favored 'Trans proline' 0 C--N 1.347 0.467 0 N-CA-C 115.443 1.286 . . . . 25.0 115.443 -172.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -128.39 11.81 6.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.903 -1.044 . . . . 25.0 108.719 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -147.77 113.05 5.56 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 104.758 -2.312 . . . . 25.0 104.758 177.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -34.16 61.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 113.242 0.83 . . . . 25.0 113.242 -176.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -86.0 -41.44 14.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.809 -0.356 . . . . 25.0 110.883 179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 55.19 26.39 8.34 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.102 0.961 . . . . 25.0 113.456 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -133.64 150.2 51.57 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.614 -0.513 . . . . 25.0 109.614 -178.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -154.08 129.26 9.67 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.509 -0.923 . . . . 25.0 108.509 175.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -137.56 155.29 49.38 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 176.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.2 mt -139.74 127.28 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 103.682 -2.711 . . . . 25.0 103.682 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -140.74 161.89 36.72 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.108 -1.071 . . . . 25.0 108.108 -178.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -130.86 158.25 40.7 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.27 -0.641 . . . . 25.0 109.27 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -120.42 83.85 2.13 Favored 'General case' 0 N--CA 1.467 0.411 0 N-CA-C 108.993 -0.743 . . . . 25.0 108.993 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 98' ' ' GLN . 10.5 pt -80.76 1.33 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 CA-C-O 122.126 0.965 . . . . 25.0 111.698 174.651 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 17.6 ttm180 49.22 27.15 1.73 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 113.361 -1.745 . . . . 25.0 112.181 -174.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.41 ' H ' HG13 ' A' ' 96' ' ' ILE . 28.1 tt0 . . . . . 0 C--O 1.216 -0.698 0 CA-C-O 126.536 3.065 . . . . 25.0 109.999 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.5 p . . . . . 0 N--CA 1.53 3.57 0 CA-C-O 122.632 1.206 . . . . 25.0 112.67 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -143.35 146.3 33.41 Favored 'General case' 0 C--N 1.333 -0.132 0 N-CA-C 108.06 -1.089 . . . . 25.0 108.06 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -168.05 -56.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.517 0 O-C-N 123.534 0.521 . . . . 25.0 111.413 177.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 t 64.0 176.66 0.17 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.081 0.953 . . . . 25.0 110.967 -173.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.6 t60 -162.04 146.75 12.69 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.661 -1.237 . . . . 25.0 107.661 -179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.1 m -83.01 132.73 35.13 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 106.747 -1.575 . . . . 25.0 106.747 174.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.1 t -147.83 137.28 12.04 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 117.961 0.346 . . . . 25.0 111.479 -177.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -72.16 174.33 11.57 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 117.318 -1.321 . . . . 25.0 109.787 171.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 175.23 -25.71 0.07 OUTLIER Glycine 0 C--O 1.221 -0.691 0 C-N-CA 120.041 -1.076 . . . . 25.0 114.566 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' A' ' 12' ' ' THR . 0.7 OUTLIER 59.66 22.03 10.75 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 114.233 1.198 . . . . 25.0 114.233 -179.708 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -77.34 17.93 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 114.432 -1.258 . . . . 25.0 110.51 173.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.446 ' H ' ' C ' ' A' ' 10' ' ' GLU . 37.3 p -68.7 -18.14 64.2 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.927 -1.033 . . . . 25.0 110.209 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 67.1 m -92.15 108.05 19.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.241 -0.436 . . . . 25.0 110.145 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.1 m -115.55 70.38 3.22 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.851 -0.613 . . . . 25.0 112.308 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -68.02 -23.06 40.77 Favored 'Trans proline' 0 C--N 1.349 0.564 0 C-N-CA 116.775 -1.684 . . . . 25.0 113.969 -176.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -59.99 -32.48 70.88 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-N 116.454 -0.339 . . . . 25.0 110.942 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -87.91 -27.23 26.92 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.257 -0.973 . . . . 25.0 113.119 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 91.2 mt -76.76 -42.42 41.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.253 0.549 . . . . 25.0 111.413 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -87.7 -30.15 20.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.011 -0.995 . . . . 25.0 110.555 -173.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -117.49 86.43 22.71 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.302 -0.863 . . . . 25.0 109.859 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.6 Cg_endo -60.62 -22.71 73.59 Favored 'Trans proline' 0 C--N 1.348 0.535 0 N-CA-C 112.471 0.143 . . . . 25.0 112.471 177.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -43.47 98.83 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.245 -0.279 . . . . 25.0 110.245 178.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.17 -41.05 67.5 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.139 -0.482 . . . . 25.0 110.661 -178.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 61' ' ' LEU . 10.8 tp -65.97 -40.26 91.1 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 120.362 -0.535 . . . . 25.0 110.669 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -58.94 -44.04 91.33 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.71 -45.59 82.18 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.004 0.43 . . . . 25.0 111.39 -177.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 49.9 ttp -62.11 -40.7 96.77 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 121.0 0.428 . . . . 25.0 110.57 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.8 mt -63.8 -43.66 95.65 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.204 -0.453 . . . . 25.0 111.951 179.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 49.8 mt -64.45 -35.92 82.48 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.137 0.494 . . . . 25.0 109.875 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.54 -14.57 59.28 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.842 0.682 . . . . 25.0 112.842 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -110.28 99.02 38.42 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.936 0.398 . . . . 25.0 112.023 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -65.9 -23.97 54.13 Favored 'Trans proline' 0 C--N 1.347 0.454 0 N-CA-C 115.086 1.149 . . . . 25.0 115.086 -176.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 18.0 t60 -76.93 -44.42 31.65 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.266 0.555 . . . . 25.0 111.183 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -70.64 -41.41 72.19 Favored 'General case' 0 C--O 1.216 -0.681 0 N-CA-C 108.973 -0.751 . . . . 25.0 108.973 -175.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -28.75 70.19 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.236 -0.438 . . . . 25.0 110.631 179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.8 t -75.15 -44.04 49.05 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 122.984 0.514 . . . . 25.0 111.016 179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -68.8 -30.04 68.52 Favored 'General case' 0 CA--C 1.488 -1.436 0 CA-C-O 121.843 0.83 . . . . 25.0 109.185 179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.4 tp -65.17 -45.26 85.63 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 114.703 -1.135 . . . . 25.0 111.543 178.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -70.1 -26.07 63.81 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 119.854 -0.738 . . . . 25.0 112.072 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -74.79 -52.14 12.23 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.208 0.528 . . . . 25.0 111.252 176.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.5 mtt180 -95.04 -21.35 18.63 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 116.179 1.918 . . . . 25.0 116.179 -171.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -135.88 65.6 59.92 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 178.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -55.75 -34.82 92.13 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 118.528 2.472 . . . . 25.0 118.528 -178.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -68.04 -31.75 29.64 Favored 'Trans proline' 0 C--N 1.362 1.28 1 C-N-CA 112.722 -4.385 . . . . 25.0 115.467 178.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.3 tp -76.0 -34.7 59.73 Favored 'General case' 0 CA--C 1.515 -0.396 0 O-C-N 120.876 -1.14 . . . . 25.0 108.53 176.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.95 -49.51 77.16 Favored 'General case' 0 C--O 1.211 -0.939 0 N-CA-C 112.469 0.544 . . . . 25.0 112.469 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -60.56 -31.42 70.53 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 118.749 0.704 . . . . 25.0 111.176 -178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.436 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.96 -40.05 94.41 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.48 176.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.3 tp -67.12 -41.84 85.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.252 -0.431 . . . . 25.0 110.408 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -64.19 -28.18 69.57 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.096 0.474 . . . . 25.0 111.044 -176.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.4 m -75.93 -19.69 58.58 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.769 -0.65 . . . . 25.0 112.445 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.38 -30.92 3.93 Favored Glycine 0 CA--C 1.522 0.524 0 O-C-N 122.183 -0.323 . . . . 25.0 113.413 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -55.81 104.6 0.14 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 124.432 1.093 . . . . 25.0 112.54 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.43 -33.32 73.52 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 107.697 -1.223 . . . . 25.0 107.697 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -54.48 -52.51 61.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.081 0.467 . . . . 25.0 111.587 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.78 -34.02 64.49 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.401 -0.52 . . . . 25.0 110.626 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -59.69 -50.5 73.6 Favored 'General case' 0 C--O 1.218 -0.56 0 C-N-CA 120.771 -0.372 . . . . 25.0 110.397 177.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.2 t -62.27 -44.83 95.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.235 0.457 . . . . 25.0 112.235 178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -58.9 -46.06 88.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.07 -0.394 . . . . 25.0 110.699 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 63.6 t -72.11 -32.48 43.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 -178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.519 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -57.99 -45.03 87.43 Favored 'General case' 0 C--O 1.221 -0.404 0 O-C-N 122.229 -0.294 . . . . 25.0 110.343 178.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 60.9 t -67.01 -42.92 89.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.852 0.358 . . . . 25.0 110.603 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -62.67 -39.51 94.14 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.697 -0.627 . . . . 25.0 110.82 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.9 mm-40 -67.28 -39.68 86.06 Favored 'General case' 0 C--O 1.215 -0.76 0 O-C-N 122.132 -0.355 . . . . 25.0 110.349 175.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -60.69 -40.83 93.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 118.327 0.512 . . . . 25.0 110.486 178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -61.28 -43.95 98.03 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 121.24 -0.184 . . . . 25.0 110.64 -179.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -74.44 -40.31 62.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.512 0.672 . . . . 25.0 111.722 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -64.29 -36.53 84.4 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-N 116.225 -0.443 . . . . 25.0 110.592 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.35 -30.96 63.29 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.949 0.34 . . . . 25.0 111.685 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -65.8 -48.32 72.11 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.948 0.404 . . . . 25.0 110.849 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.0 ptt180 -81.17 -26.88 35.67 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.04 -29.59 70.5 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 116.369 -0.378 . . . . 25.0 111.188 -172.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -53.08 -42.99 66.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 123.334 0.396 . . . . 25.0 111.823 176.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -74.91 -32.81 61.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.402 0.62 . . . . 25.0 110.785 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.3 mtp85 -71.27 -42.14 69.14 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.8 pt -78.76 -14.59 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 CA-C-O 120.811 0.339 . . . . 25.0 111.379 178.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.36 -38.26 68.57 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.263 -177.144 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -157.76 155.84 30.54 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.937 -1.134 . . . . 25.0 107.937 179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 54.74 -145.96 0.59 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 123.804 0.842 . . . . 25.0 111.346 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 14.6 m 57.29 24.44 9.96 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 -177.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -98.22 37.33 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.51 -0.768 . . . . 25.0 110.233 -179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -117.84 92.51 41.88 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -178.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -86.24 154.43 9.5 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 117.668 -1.088 . . . . 25.0 113.063 -178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -123.82 4.19 8.79 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 122.851 1.31 . . . . 25.0 108.125 175.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -93.59 43.42 1.11 Allowed 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 113.517 -1.674 . . . . 25.0 108.94 -176.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 65.3 mt -66.92 -24.7 66.11 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.223 -0.899 . . . . 25.0 110.882 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.8 -18.8 46.35 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.993 -1.003 . . . . 25.0 112.791 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.77 38.57 0.26 Allowed 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 113.782 1.03 . . . . 25.0 113.782 -171.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -62.45 127.04 29.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.53 0.681 . . . . 25.0 109.902 179.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.45 138.93 49.42 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.852 -0.613 . . . . 25.0 110.293 -177.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 69.7 tttt -152.61 156.48 39.37 Favored 'General case' 0 CA--C 1.508 -0.648 0 N-CA-C 107.468 -1.308 . . . . 25.0 107.468 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.4 mt -132.27 115.6 26.58 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 N-CA-C 102.681 -3.081 . . . . 25.0 102.681 171.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -125.09 146.48 49.44 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 107.281 -1.378 . . . . 25.0 107.281 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.64 150.6 34.71 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.664 -1.236 . . . . 25.0 107.664 -175.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.4 t0 -151.73 48.58 0.8 Allowed 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.469 -1.308 . . . . 25.0 107.469 -177.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 pt 41.39 36.62 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 125.639 1.576 . . . . 25.0 114.155 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -89.23 52.61 2.42 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 122.743 1.258 . . . . 25.0 110.141 -178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.8 tp60 . . . . . 0 C--O 1.21 -1.008 0 CA-C-O 125.141 2.4 . . . . 25.0 111.647 179.033 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 123.87 1.795 . . . . 25.0 113.907 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -99.12 134.85 41.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 113.835 -1.53 . . . . 25.0 110.927 -178.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.8 mp0 -134.05 167.01 21.41 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 104.461 -2.422 . . . . 25.0 104.461 174.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.05 -35.26 73.03 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 114.183 1.179 . . . . 25.0 114.183 -176.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 8.2 t-80 45.96 38.67 4.79 Favored 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 114.358 1.244 . . . . 25.0 114.358 177.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -81.56 157.9 24.61 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.271 -0.422 . . . . 25.0 109.99 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.7 m -140.96 134.6 14.82 Favored Pre-proline 0 C--N 1.325 -0.467 0 N-CA-C 109.538 -0.542 . . . . 25.0 109.538 177.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -78.84 168.86 20.34 Favored 'Trans proline' 0 C--N 1.349 0.594 0 CA-C-O 121.222 0.426 . . . . 25.0 112.678 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -133.45 16.98 4.54 Favored Glycine 0 C--O 1.218 -0.895 0 CA-C-O 122.001 0.779 . . . . 25.0 112.385 177.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -106.16 29.39 6.81 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 122.188 0.995 . . . . 25.0 108.841 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . 0.26 15.7 mm -87.51 6.63 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 CA-C-O 123.408 1.575 . . . . 25.0 109.241 -171.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.9 p -77.75 86.06 4.03 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.187 -1.369 . . . . 25.0 112.493 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.1 t -159.77 163.73 34.38 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 106.364 -1.717 . . . . 25.0 106.364 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.2 m -117.35 56.33 1.88 Allowed Pre-proline 0 N--CA 1.469 0.503 0 N-CA-C 113.587 0.958 . . . . 25.0 113.587 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -72.71 -37.9 3.57 Favored 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 114.856 -2.962 . . . . 25.0 116.013 -173.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -81.46 36.79 0.44 Allowed 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 113.669 0.989 . . . . 25.0 113.669 -175.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 60.69 29.37 69.83 Favored Glycine 0 C--O 1.225 -0.436 0 N-CA-C 115.54 0.976 . . . . 25.0 115.54 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.32 -26.72 65.76 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 118.184 0.992 . . . . 25.0 111.657 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -96.83 -2.69 43.56 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.899 0.857 . . . . 25.0 109.362 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.07 74.54 79.55 Favored Pre-proline 0 N--CA 1.444 -0.764 0 CA-C-N 115.817 -0.629 . . . . 25.0 111.694 -176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.545 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.4 Cg_endo -58.48 -31.1 93.53 Favored 'Trans proline' 0 C--O 1.213 -0.754 0 O-C-N 121.851 0.395 . . . . 25.0 112.626 177.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -46.49 89.02 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.486 0.184 . . . . 25.0 110.938 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.5 mt -72.46 -40.09 67.26 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.861 0.362 . . . . 25.0 110.647 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.28 -40.35 90.01 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.814 -0.355 . . . . 25.0 110.882 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.7 ttp180 -59.14 -44.47 92.06 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.842 -1.17 . . . . 25.0 107.842 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.48 -43.88 92.79 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.554 -0.748 . . . . 25.0 111.919 -178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 51.5 ttp -62.59 -43.83 97.84 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.75 0.31 . . . . 25.0 110.963 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.64 -42.3 98.16 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.778 0.323 . . . . 25.0 111.725 -179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 36.5 mt -62.44 -35.76 80.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.061 0.458 . . . . 25.0 110.102 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 -11.78 57.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.275 0.843 . . . . 25.0 113.275 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -114.52 102.11 54.65 Favored Pre-proline 0 C--N 1.329 -0.311 0 O-C-N 121.888 -0.507 . . . . 25.0 112.24 -173.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -65.92 -25.67 52.2 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 115.245 1.21 . . . . 25.0 115.245 -176.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.5 t60 -76.09 -41.71 49.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.68 -0.638 . . . . 25.0 110.333 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.81 -41.96 67.61 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.812 -0.811 . . . . 25.0 108.812 -174.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -30.33 71.52 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 121.42 -0.8 . . . . 25.0 111.045 177.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.0 m -74.73 -41.39 60.23 Favored 'General case' 0 C--O 1.215 -0.717 0 C-N-CA 122.812 0.445 . . . . 25.0 111.765 178.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -66.77 -33.84 76.52 Favored 'General case' 0 CA--C 1.48 -1.72 0 N-CA-C 108.126 -1.065 . . . . 25.0 108.126 177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -64.94 -43.9 91.23 Favored 'General case' 0 N--CA 1.431 -1.423 0 CA-C-N 115.523 -0.762 . . . . 25.0 112.894 -178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -67.43 -28.37 67.84 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 119.891 -0.724 . . . . 25.0 111.639 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -77.04 -51.88 10.3 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.201 0.524 . . . . 25.0 112.021 177.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -78.69 -34.32 46.23 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 114.187 1.18 . . . . 25.0 114.187 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -139.88 70.46 36.16 Favored Pre-proline 0 N--CA 1.474 0.734 0 N-CA-C 114.448 1.277 . . . . 25.0 114.448 -173.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.41 -37.03 89.29 Favored 'Trans proline' 0 CA--C 1.554 1.485 0 N-CA-C 118.451 2.443 . . . . 25.0 118.451 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -70.24 -28.37 23.01 Favored 'Trans proline' 0 C--N 1.36 1.152 1 C-N-CA 112.588 -4.474 . . . . 25.0 116.081 177.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.8 tp -75.42 -32.4 60.7 Favored 'General case' 0 N--CA 1.47 0.566 0 O-C-N 120.633 -1.292 . . . . 25.0 107.838 174.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.93 -49.45 70.36 Favored 'General case' 0 C--O 1.205 -1.253 0 CA-C-O 118.849 -0.596 . . . . 25.0 112.456 179.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.6 pt-20 -60.2 -31.92 70.61 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.14 0.882 . . . . 25.0 110.936 -176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.458 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.49 -44.69 93.62 Favored 'General case' 0 N--CA 1.434 -1.241 0 CA-C-N 115.859 -0.609 . . . . 25.0 111.515 174.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.26 -42.57 93.12 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.424 -0.807 . . . . 25.0 110.381 -179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.9 mt -62.33 -30.7 71.35 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.489 0.662 . . . . 25.0 110.716 -174.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.43 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 50.8 m -75.46 -22.58 57.16 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.389 -0.823 . . . . 25.0 112.528 -178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.15 -17.27 38.52 Favored Glycine 0 N--CA 1.46 0.269 0 CA-C-N 116.71 -0.223 . . . . 25.0 113.542 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -64.03 116.94 6.37 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.861 0.362 . . . . 25.0 111.201 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.25 -36.73 82.22 Favored 'General case' 0 C--O 1.21 -0.981 0 C-N-CA 120.415 -0.514 . . . . 25.0 109.808 177.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 54.7 mm-40 -58.7 -53.09 62.32 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 121.882 -0.511 . . . . 25.0 111.137 -177.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.0 ptmt -63.88 -37.74 88.5 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.624 -0.703 . . . . 25.0 109.296 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -64.8 -50.49 66.56 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 112.223 0.453 . . . . 25.0 112.223 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 37.8 t -62.08 -39.87 93.88 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.422 0.629 . . . . 25.0 111.509 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.4 -47.2 74.05 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 116.101 -0.5 . . . . 25.0 109.758 -177.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.1 p -70.84 -30.6 42.49 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 108.644 -0.872 . . . . 25.0 108.644 -178.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.545 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.6 tp -58.25 -47.87 82.18 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 122.102 -0.374 . . . . 25.0 111.824 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.5 p -72.06 -35.29 53.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.134 -0.626 . . . . 25.0 110.673 -178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -63.14 -40.9 98.94 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.679 0.752 . . . . 25.0 109.169 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -68.24 -36.99 80.33 Favored 'General case' 0 C--O 1.214 -0.788 0 CA-C-N 115.816 -0.629 . . . . 25.0 111.606 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -65.8 -39.84 91.32 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 118.531 0.605 . . . . 25.0 110.742 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -62.5 -43.29 99.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.059 0.457 . . . . 25.0 109.972 178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -70.31 -40.44 74.2 Favored 'General case' 0 C--O 1.216 -0.674 0 C-N-CA 120.294 -0.562 . . . . 25.0 110.98 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.3 mtp180 -58.83 -37.9 77.47 Favored 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 122.007 -0.433 . . . . 25.0 110.971 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.33 -32.13 70.95 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.723 0.297 . . . . 25.0 111.667 178.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -76.72 -29.75 56.36 Favored 'General case' 0 N--CA 1.44 -0.963 0 O-C-N 121.65 -0.656 . . . . 25.0 109.442 179.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -75.9 -29.96 58.61 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.121 0.486 . . . . 25.0 109.741 177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -57.37 -34.11 68.49 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.328 -0.851 . . . . 25.0 110.298 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -59.69 -39.96 86.3 Favored 'General case' 0 C--O 1.217 -0.646 0 CA-C-O 121.213 0.53 . . . . 25.0 111.017 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -80.2 -31.17 38.76 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 113.117 0.784 . . . . 25.0 113.117 176.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -60.88 -23.53 65.26 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.621 0.971 . . . . 25.0 113.621 -176.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 11.3 pt -59.89 -18.78 16.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 112.307 0.484 . . . . 25.0 112.307 176.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -68.66 -9.87 52.76 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 112.283 0.475 . . . . 25.0 112.283 175.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? 67.53 128.61 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 126.943 2.097 . . . . 25.0 115.187 177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -141.95 148.17 38.2 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.054 -1.832 . . . . 25.0 106.054 -175.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 39.8 m -81.09 87.19 6.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.107 0.479 . . . . 25.0 110.563 178.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -151.55 36.0 0.57 Allowed 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 106.254 -1.758 . . . . 25.0 106.254 -179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.93 140.65 97.9 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 114.104 -1.407 . . . . 25.0 113.688 -170.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -80.27 164.14 21.97 Favored 'Trans proline' 0 C--N 1.349 0.584 0 N-CA-C 113.375 0.491 . . . . 25.0 113.375 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -135.19 8.44 3.44 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 122.64 1.21 . . . . 25.0 109.083 177.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.31 40.84 0.79 Allowed 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 113.748 -1.569 . . . . 25.0 112.789 -169.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.34 -27.99 68.32 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.181 0.515 . . . . 25.0 112.119 -177.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -80.78 -10.99 59.68 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 114.04 1.126 . . . . 25.0 114.04 179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.22 45.13 0.53 Allowed 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.953 0.901 . . . . 25.0 112.356 -174.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -96.85 125.24 41.15 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.431 -0.804 . . . . 25.0 111.787 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.81 169.0 13.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.625 -0.716 . . . . 25.0 110.849 178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -127.38 154.05 45.48 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 109.522 -0.548 . . . . 25.0 109.522 176.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 78.9 mt -132.03 117.98 35.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 105.293 -2.114 . . . . 25.0 105.293 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -136.52 147.58 47.16 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.137 -1.431 . . . . 25.0 107.137 -177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 68.9 mt-10 -133.29 155.96 48.46 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.979 0.363 . . . . 25.0 111.979 -176.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -139.34 55.53 1.68 Allowed 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 108.311 -0.996 . . . . 25.0 108.311 172.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.9 mt -84.35 58.67 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 7.5 ttt-85 -83.9 42.46 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 122.46 1.124 . . . . 25.0 111.146 -177.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.3 tp60 . . . . . 0 C--O 1.21 -0.977 0 CA-C-O 125.707 2.67 . . . . 25.0 110.759 -179.193 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.905 0 N-CA-C 114.92 1.452 . . . . 25.0 114.92 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -154.6 176.29 12.58 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -126.31 164.48 20.93 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 106.911 -1.514 . . . . 25.0 106.911 174.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.4 m -142.46 153.8 43.99 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 51.44 43.73 29.39 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 122.222 1.011 . . . . 25.0 111.283 -178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -134.84 166.94 21.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 105.439 -2.06 . . . . 25.0 105.439 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 78.1 p -141.06 155.4 68.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 110.445 -0.206 . . . . 25.0 110.445 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_endo -75.15 173.28 14.79 Favored 'Trans proline' 0 C--N 1.348 0.522 0 O-C-N 122.067 0.509 . . . . 25.0 111.238 176.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 164.5 -63.82 0.24 Allowed Glycine 0 C--O 1.22 -0.746 0 N-CA-C 111.493 -0.643 . . . . 25.0 111.493 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 53.35 30.41 10.22 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.722 0.772 . . . . 25.0 111.883 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.408 ' H ' HG13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -68.56 5.86 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.031 0 C-N-CA 125.003 1.321 . . . . 25.0 114.439 -178.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.3 t -75.83 -21.08 57.65 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 107.346 -1.353 . . . . 25.0 107.346 173.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 89.0 p -89.94 130.93 36.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 106.877 -1.527 . . . . 25.0 106.877 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.2 p -144.17 60.65 8.19 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.387 -0.369 . . . . 25.0 111.957 -178.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -67.24 -34.09 28.7 Favored 'Trans proline' 0 C--N 1.35 0.643 0 C-N-CA 115.907 -2.262 . . . . 25.0 113.782 -178.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -77.1 -14.44 59.81 Favored 'General case' 0 C--O 1.214 -0.793 0 O-C-N 121.875 -0.516 . . . . 25.0 109.867 177.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.64 -17.8 79.26 Favored Glycine 0 C--O 1.226 -0.385 0 N-CA-C 111.321 -0.711 . . . . 25.0 111.321 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -72.44 -35.84 68.41 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -83.44 -29.38 28.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 122.035 0.922 . . . . 25.0 109.714 179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -113.87 81.29 5.8 Favored Pre-proline 0 C--O 1.241 0.631 0 CA-C-N 115.387 -0.824 . . . . 25.0 112.753 179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.544 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.5 Cg_endo -60.84 -31.08 91.32 Favored 'Trans proline' 0 C--O 1.216 -0.578 0 C-N-CA 118.614 -0.457 . . . . 25.0 112.187 174.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.62 -41.95 99.31 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.265 -0.272 . . . . 25.0 111.578 -179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 70.1 mt -77.67 -37.75 49.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.519 -0.309 . . . . 25.0 110.271 -178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 22.3 tp -66.89 -41.12 87.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.432 -0.507 . . . . 25.0 110.161 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.4 tmm_? -54.48 -45.55 73.23 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.684 -0.488 . . . . 25.0 109.684 174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -67.08 -42.66 84.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.024 0.44 . . . . 25.0 111.767 -177.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.7 tmm? -60.31 -49.01 79.29 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-O 121.512 0.672 . . . . 25.0 110.302 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 62.4 mt -60.99 -42.1 97.75 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.137 -0.938 . . . . 25.0 112.065 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 55.4 mt -63.76 -36.49 84.04 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.145 0.498 . . . . 25.0 110.394 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.38 -10.24 59.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.043 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -115.87 96.32 46.47 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.207 0.447 . . . . 25.0 112.207 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -64.35 -25.36 64.01 Favored 'Trans proline' 0 CA--C 1.532 0.379 0 N-CA-C 115.218 1.199 . . . . 25.0 115.218 -176.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.06 -42.28 48.02 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.465 0.65 . . . . 25.0 110.673 178.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.75 -40.85 69.08 Favored 'General case' 0 C--O 1.217 -0.639 0 N-CA-C 108.811 -0.811 . . . . 25.0 108.811 -175.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -30.22 71.3 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 122.056 -0.402 . . . . 25.0 110.813 178.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.1 t -72.73 -44.03 62.19 Favored 'General case' 0 C--O 1.219 -0.516 0 C-N-CA 122.53 0.332 . . . . 25.0 110.958 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -66.96 -30.11 70.15 Favored 'General case' 0 CA--C 1.487 -1.473 0 CA-C-O 122.035 0.922 . . . . 25.0 110.162 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -67.15 -43.02 83.36 Favored 'General case' 0 N--CA 1.431 -1.376 0 CA-C-N 114.897 -1.047 . . . . 25.0 112.219 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -69.09 -27.16 65.35 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 119.869 -0.733 . . . . 25.0 111.774 174.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -74.87 -51.85 12.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.993 0.425 . . . . 25.0 111.449 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 59.1 mtm-85 -87.56 -26.46 23.12 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.487 1.662 . . . . 25.0 115.487 -174.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -139.16 67.32 39.84 Favored Pre-proline 0 N--CA 1.474 0.735 0 N-CA-C 113.24 0.83 . . . . 25.0 113.24 -179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.61 -35.85 87.7 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.366 2.41 . . . . 25.0 118.366 -178.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -69.61 -30.0 23.69 Favored 'Trans proline' 0 C--N 1.362 1.252 1 C-N-CA 112.105 -4.796 . . . . 25.0 115.842 178.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.8 tp -75.46 -32.43 60.62 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 120.756 -1.215 . . . . 25.0 108.006 175.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.77 -47.76 79.68 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 112.831 0.678 . . . . 25.0 112.831 177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -60.68 -31.45 70.7 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.277 0.944 . . . . 25.0 110.671 -177.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.514 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -61.2 -44.16 97.73 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 115.54 -0.754 . . . . 25.0 111.091 174.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -66.41 -40.88 89.85 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.008 -0.542 . . . . 25.0 110.768 177.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.83 -28.82 70.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.233 0.54 . . . . 25.0 111.162 -175.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.1 m -76.45 -22.89 54.01 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.809 -0.632 . . . . 25.0 111.953 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.09 -21.62 23.08 Favored Glycine 0 C--O 1.236 0.241 0 CA-C-N 116.526 -0.307 . . . . 25.0 112.757 -179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.9 t0 -62.8 116.98 5.72 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 122.761 0.424 . . . . 25.0 112.0 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.46 -37.39 82.87 Favored 'General case' 0 C--O 1.215 -0.743 0 N-CA-C 109.306 -0.627 . . . . 25.0 109.306 176.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -60.17 -51.16 70.75 Favored 'General case' 0 C--N 1.319 -0.725 0 C-N-CA 120.577 -0.449 . . . . 25.0 109.934 -175.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.8 ptmt -65.23 -36.38 83.98 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 120.133 -0.627 . . . . 25.0 110.615 177.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.514 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 77.6 t80 -61.54 -50.75 71.4 Favored 'General case' 0 C--O 1.22 -0.484 0 CA-C-N 118.535 0.607 . . . . 25.0 111.264 177.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.1 t -63.74 -43.86 95.22 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 122.555 0.342 . . . . 25.0 111.423 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -60.29 -44.09 95.69 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 122.087 -0.383 . . . . 25.0 110.664 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 89.7 t -72.44 -34.25 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.401 -0.592 . . . . 25.0 109.401 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.2 tp -58.67 -41.44 86.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.993 -0.442 . . . . 25.0 109.887 177.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 91.0 t -68.96 -44.02 81.73 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.669 0 N-CA-C 110.282 -0.266 . . . . 25.0 110.282 177.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.66 -42.15 87.77 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 121.679 -0.638 . . . . 25.0 110.876 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -66.58 -39.38 88.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.593 178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.16 -37.32 64.04 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.124 0.488 . . . . 25.0 110.427 -177.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -61.58 -41.51 97.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.519 -0.764 . . . . 25.0 111.524 174.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -59.11 -43.3 91.9 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.705 0.764 . . . . 25.0 110.739 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 59.6 mtt85 -67.38 -37.76 83.68 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.766 -0.652 . . . . 25.0 110.669 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.29 -31.7 70.5 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.507 0.188 . . . . 25.0 111.507 177.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -65.44 -38.6 90.34 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-O 121.145 0.497 . . . . 25.0 110.999 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.1 mtt-85 -75.75 -27.52 58.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.85 0.833 . . . . 25.0 108.987 -178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.01 -25.96 62.03 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.715 -1.13 . . . . 25.0 112.093 -179.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 91.9 mm-40 -54.16 -39.36 66.48 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 120.911 0.386 . . . . 25.0 110.53 176.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -68.93 -31.24 69.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.96 0.41 . . . . 25.0 111.058 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 67.5 mtt-85 -72.01 -46.1 58.46 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 121.86 -0.525 . . . . 25.0 111.869 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.8 pt -70.76 -18.77 21.16 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.452 0 CA-C-O 120.947 0.403 . . . . 25.0 111.055 -177.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -61.69 -20.13 63.12 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 121.964 -0.46 . . . . 25.0 111.31 174.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.26 -47.83 10.38 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.644 -0.502 . . . . 25.0 109.644 174.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -138.41 132.76 31.9 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.046 -0.524 . . . . 25.0 112.122 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.6 m 58.61 52.98 6.38 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 116.891 2.182 . . . . 25.0 116.891 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.11 40.23 0.75 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 109.604 -0.517 . . . . 25.0 109.604 170.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -69.95 145.83 94.6 Favored Pre-proline 0 CA--C 1.54 0.588 0 N-CA-C 112.642 0.608 . . . . 25.0 112.642 -172.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -80.88 176.43 8.98 Favored 'Trans proline' 0 C--N 1.349 0.586 0 N-CA-C 113.787 0.649 . . . . 25.0 113.787 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -112.52 37.87 2.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 105.0 -2.222 . . . . 25.0 105.0 176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 33.0 t0 63.48 103.41 0.03 OUTLIER 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 113.287 -1.779 . . . . 25.0 113.505 -174.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -58.38 -31.48 67.69 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 115.172 1.545 . . . . 25.0 115.172 -176.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.88 -30.98 35.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.921 0.867 . . . . 25.0 111.419 -178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -74.26 -14.74 60.96 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.559 -1.201 . . . . 25.0 113.387 -177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -96.59 105.66 17.79 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 123.169 1.461 . . . . 25.0 112.285 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -88.11 9.23 23.37 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.556 -2.111 . . . . 25.0 110.636 174.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 43.1 tttp 66.83 179.03 0.22 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 112.726 -2.034 . . . . 25.0 109.311 -177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.8 mt -114.7 97.17 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -177.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -128.74 166.61 18.64 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.399 -1.334 . . . . 25.0 107.399 -177.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -128.58 124.61 36.33 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.081 0.4 . . . . 25.0 112.081 177.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -82.22 45.03 0.9 Allowed 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.956 -0.566 . . . . 25.0 111.122 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.1 mt 50.74 58.9 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-O 122.104 0.954 . . . . 25.0 109.529 -178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -71.76 43.41 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.758 1.762 . . . . 25.0 115.758 -175.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 . . . . . 0 C--O 1.211 -0.945 0 CA-C-O 125.05 2.357 . . . . 25.0 110.586 174.496 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.8 p . . . . . 0 N--CA 1.486 1.354 0 N-CA-C 113.9 1.074 . . . . 25.0 113.9 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -83.69 -47.63 11.01 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.872 -0.604 . . . . 25.0 111.04 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 56.72 -155.77 0.31 Allowed 'General case' 0 N--CA 1.472 0.651 0 O-C-N 124.043 0.84 . . . . 25.0 109.291 -175.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.4 p -77.27 138.42 39.38 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 -156.45 -179.0 7.75 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.098 -1.445 . . . . 25.0 107.098 -177.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 63.22 -167.33 0.21 Allowed 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.619 0.97 . . . . 25.0 113.619 174.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 25.7 m -77.54 138.02 63.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 116.248 -0.433 . . . . 25.0 110.641 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.79 140.83 23.78 Favored 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 116.689 -1.741 . . . . 25.0 111.543 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -119.26 -3.77 12.72 Favored Glycine 0 C--O 1.22 -0.748 0 CA-C-N 114.703 -1.135 . . . . 25.0 113.808 178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 53.29 31.29 11.5 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 122.101 0.953 . . . . 25.0 112.17 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 41.5 mt -70.65 -3.74 3.65 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.949 0 CA-C-O 123.566 1.651 . . . . 25.0 110.215 -179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.2 p -63.06 -23.05 67.27 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 113.192 -1.822 . . . . 25.0 110.186 173.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.5 m -82.01 113.1 19.67 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 175.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 p 42.72 60.36 10.16 Favored Pre-proline 0 N--CA 1.48 1.061 0 N-CA-C 115.298 1.592 . . . . 25.0 115.298 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -63.84 -30.54 68.19 Favored 'Trans proline' 0 C--N 1.35 0.655 0 N-CA-C 117.764 2.178 . . . . 25.0 117.764 -171.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.6 4.5 15.75 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.851 -0.531 . . . . 25.0 112.049 -178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 75.96 29.82 58.43 Favored Glycine 0 C--O 1.227 -0.332 0 C-N-CA 120.397 -0.906 . . . . 25.0 111.235 -176.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -65.27 -27.4 68.61 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.973 0.731 . . . . 25.0 112.973 -175.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -103.05 3.31 35.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 122.404 1.097 . . . . 25.0 108.86 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -129.24 69.53 81.18 Favored Pre-proline 0 N--CA 1.445 -0.723 0 CA-C-N 115.471 -0.786 . . . . 25.0 112.069 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.534 ' HB3' HD22 ' A' ' 61' ' ' LEU . 37.7 Cg_endo -60.83 -30.35 89.96 Favored 'Trans proline' 0 C--O 1.213 -0.751 0 O-C-N 121.783 0.359 . . . . 25.0 111.689 175.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.0 -43.28 99.22 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.378 -0.201 . . . . 25.0 111.293 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.1 mt -78.03 -38.76 43.9 Favored 'General case' 0 C--O 1.219 -0.545 0 CA-C-N 116.339 -0.391 . . . . 25.0 110.188 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 38.2 tp -66.23 -39.35 89.51 Favored 'General case' 0 C--O 1.219 -0.532 0 C-N-CA 120.831 -0.348 . . . . 25.0 110.705 -179.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -56.52 -45.59 81.04 Favored 'General case' 0 C--O 1.219 -0.54 0 N-CA-C 109.175 -0.676 . . . . 25.0 109.175 175.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -67.43 -44.12 79.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.08 0.466 . . . . 25.0 111.622 -177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.6 tmm? -59.27 -49.4 77.99 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.243 0.544 . . . . 25.0 110.281 177.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 HD23 ' HB3' ' A' ' 34' ' ' GLU . 9.6 mt -58.83 -43.58 90.68 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-N 115.567 -0.742 . . . . 25.0 112.117 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.7 mt -64.27 -34.69 78.7 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 120.74 -0.384 . . . . 25.0 110.935 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.91 -14.91 58.27 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.201 -0.454 . . . . 25.0 112.097 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -108.54 101.33 42.59 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.16 0.43 . . . . 25.0 112.16 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.45 -25.74 48.17 Favored 'Trans proline' 0 CA--C 1.533 0.429 0 N-CA-C 115.667 1.372 . . . . 25.0 115.667 -175.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.8 t-160 -76.13 -44.55 37.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.547 0.689 . . . . 25.0 109.884 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.403 ' HB3' HD23 ' A' ' 28' ' ' LEU . 7.6 mm-40 -70.04 -39.13 75.93 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.866 -0.79 . . . . 25.0 108.866 -174.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.05 -30.35 70.39 Favored 'General case' 0 C--N 1.321 -0.654 0 O-C-N 121.829 -0.544 . . . . 25.0 111.091 177.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.7 -42.45 58.36 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 122.764 0.426 . . . . 25.0 111.702 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -68.14 -31.25 70.69 Favored 'General case' 0 CA--C 1.485 -1.542 0 CA-C-O 121.91 0.862 . . . . 25.0 109.299 178.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -66.2 -44.98 82.35 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 115.092 -0.958 . . . . 25.0 111.865 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -69.99 -26.07 63.9 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 119.891 -0.724 . . . . 25.0 112.365 174.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.6 -51.84 21.18 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.176 0.513 . . . . 25.0 110.52 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -95.91 -26.23 15.68 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 116.338 1.977 . . . . 25.0 116.338 -170.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.4 t-20 -134.95 68.28 70.65 Favored Pre-proline 0 C--N 1.318 -0.78 0 N-CA-C 112.883 0.697 . . . . 25.0 112.883 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -55.13 -35.9 91.77 Favored 'Trans proline' 0 CA--C 1.548 1.204 0 N-CA-C 118.249 2.365 . . . . 25.0 118.249 -178.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.1 -30.01 26.07 Favored 'Trans proline' 0 C--N 1.362 1.276 1 C-N-CA 112.237 -4.709 . . . . 25.0 115.821 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.51 -34.84 60.85 Favored 'General case' 0 N--CA 1.465 0.322 0 O-C-N 120.887 -1.133 . . . . 25.0 107.962 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.9 -49.36 75.13 Favored 'General case' 0 C--O 1.207 -1.163 0 N-CA-C 112.65 0.611 . . . . 25.0 112.65 178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.47 -31.49 71.46 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 119.054 0.843 . . . . 25.0 110.99 -176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.443 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.02 -40.56 96.61 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.876 -0.602 . . . . 25.0 110.32 175.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.19 -42.67 83.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.314 -0.403 . . . . 25.0 110.476 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -64.02 -28.75 70.01 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.084 0.469 . . . . 25.0 111.074 -175.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.6 m -75.72 -18.23 59.66 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 25.0 112.449 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.44 -30.95 3.95 Favored Glycine 0 CA--C 1.52 0.347 0 N-CA-C 113.949 0.34 . . . . 25.0 113.949 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.5 110.42 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.918 0.866 . . . . 25.0 112.592 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -64.17 -37.29 86.93 Favored 'General case' 0 C--O 1.215 -0.757 0 N-CA-C 108.78 -0.822 . . . . 25.0 108.78 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -58.92 -43.37 91.1 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 119.969 -0.692 . . . . 25.0 111.997 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 20.0 ptmt -73.43 -36.32 65.92 Favored 'General case' 0 C--O 1.219 -0.544 0 O-C-N 121.653 -0.654 . . . . 25.0 110.15 178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -59.88 -51.46 69.63 Favored 'General case' 0 C--O 1.22 -0.484 0 C-N-CA 120.463 -0.495 . . . . 25.0 109.989 176.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 25.0 t -62.49 -40.52 96.96 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 112.778 0.658 . . . . 25.0 112.778 178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.98 -46.81 89.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.94 -0.475 . . . . 25.0 110.034 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.3 t -70.79 -33.17 51.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.534 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.5 tp -55.29 -43.73 75.07 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 122.057 -0.402 . . . . 25.0 110.199 177.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.1 t -68.76 -43.23 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 O-C-N 122.158 -0.338 . . . . 25.0 111.09 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -60.35 -42.16 95.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.213 0.53 . . . . 25.0 110.598 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -66.42 -39.29 88.86 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.199 -0.455 . . . . 25.0 110.343 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -63.51 -38.91 92.95 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.694 -0.402 . . . . 25.0 111.08 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -63.25 -39.58 95.02 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.492 -0.483 . . . . 25.0 111.201 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -77.07 -41.81 40.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.439 0.638 . . . . 25.0 112.398 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -68.13 -34.81 77.05 Favored 'General case' 0 CA--C 1.508 -0.644 0 O-C-N 121.776 -0.577 . . . . 25.0 111.004 -176.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.78 -32.85 66.06 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.461 -0.79 . . . . 25.0 111.791 177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 34.1 mtm-85 -65.16 -43.59 91.29 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 121.851 -0.531 . . . . 25.0 110.984 177.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -71.4 -33.62 69.65 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.995 0.426 . . . . 25.0 110.376 177.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -60.51 -34.08 73.56 Favored 'General case' 0 C--O 1.214 -0.801 0 CA-C-N 116.38 -0.373 . . . . 25.0 111.908 -177.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -57.53 -34.62 69.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.104 0.478 . . . . 25.0 111.009 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.95 -36.09 42.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 122.147 -0.346 . . . . 25.0 111.921 174.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 64.1 mtp180 -70.43 -35.43 73.38 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 113.754 1.02 . . . . 25.0 113.754 -177.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.5 pt -65.71 -13.91 16.26 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 N-CA-C 112.146 0.424 . . . . 25.0 112.146 179.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 34.7 mmt180 -59.3 -18.18 35.55 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 111.987 0.365 . . . . 25.0 111.987 173.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 19.2 tp -96.2 -121.22 0.11 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 107.589 -1.263 . . . . 25.0 107.589 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -147.5 157.86 43.75 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.824 -0.806 . . . . 25.0 108.824 -178.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 47.6 m -150.29 133.96 16.66 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 104.693 -2.336 . . . . 25.0 104.693 172.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -161.21 35.95 0.14 Allowed 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.324 0.583 . . . . 25.0 109.877 -174.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.55 146.34 97.66 Favored Pre-proline 0 C--N 1.32 -0.687 0 CA-C-N 115.516 -0.765 . . . . 25.0 110.951 -174.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -76.44 163.03 32.75 Favored 'Trans proline' 0 C--N 1.349 0.599 0 N-CA-C 114.258 0.83 . . . . 25.0 114.258 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -133.43 35.08 3.45 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 121.724 0.773 . . . . 25.0 109.478 -178.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -83.12 51.77 2.03 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.969 0.89 . . . . 25.0 110.89 -172.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 98.3 mt -72.64 -21.34 61.11 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -66.88 -22.9 65.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.452 -0.794 . . . . 25.0 111.329 176.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.38 5.69 19.55 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.319 0.859 . . . . 25.0 113.319 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -79.32 152.73 30.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.671 0.748 . . . . 25.0 111.805 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -70.0 139.64 52.78 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.531 0.681 . . . . 25.0 111.761 -177.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -89.64 169.87 10.95 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.046 -0.979 . . . . 25.0 109.227 176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.9 mt -132.97 130.89 58.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 103.434 -2.802 . . . . 25.0 103.434 177.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -122.74 161.66 23.51 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 106.987 -1.486 . . . . 25.0 106.987 178.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -120.1 146.8 45.59 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 112.37 0.507 . . . . 25.0 112.37 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -125.78 78.78 1.77 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 122.009 0.909 . . . . 25.0 109.421 172.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 41.3 pt -87.53 29.8 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.655 -0.702 . . . . 25.0 111.042 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -82.6 1.54 37.67 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 122.504 1.145 . . . . 25.0 112.021 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 . . . . . 0 C--O 1.21 -0.995 0 CA-C-O 125.09 2.376 . . . . 25.0 111.959 179.436 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.529 3.498 0 CA-C-O 122.63 1.205 . . . . 25.0 113.206 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -134.14 139.46 45.91 Favored 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 106.672 -1.603 . . . . 25.0 106.672 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -152.01 73.4 1.05 Allowed 'General case' 0 CA--C 1.537 0.46 0 CA-C-O 121.039 0.447 . . . . 25.0 111.481 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 61.8 p -121.29 138.76 54.09 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.377 0.608 . . . . 25.0 111.313 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -166.91 136.63 2.97 Favored 'General case' 0 C--O 1.241 0.606 0 N-CA-C 105.644 -1.984 . . . . 25.0 105.644 175.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.3 p -157.14 -178.43 7.36 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 -175.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.1 m -148.35 160.67 36.2 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 106.539 -1.652 . . . . 25.0 106.539 178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -75.05 174.68 12.38 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 117.776 -1.016 . . . . 25.0 111.846 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -145.59 -67.73 0.02 OUTLIER Glycine 0 C--O 1.219 -0.792 0 N-CA-C 111.476 -0.65 . . . . 25.0 111.476 178.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 58.7 29.46 18.64 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-O 122.033 0.921 . . . . 25.0 113.26 176.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 81.1 mt -81.08 -1.97 5.4 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.019 0 CA-C-O 123.725 1.726 . . . . 25.0 109.913 -178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.5 p -124.95 134.02 52.8 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 113.655 -1.611 . . . . 25.0 111.186 -176.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.1 p -76.22 169.99 17.16 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.043 -0.725 . . . . 25.0 109.043 176.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.9 m -121.93 78.16 40.84 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.932 0.396 . . . . 25.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -67.01 -6.43 15.96 Favored 'Trans proline' 0 C--N 1.351 0.697 0 C-N-CA 122.363 2.042 . . . . 25.0 114.271 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.3 mm-40 -70.85 46.21 0.09 Allowed 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.312 -1.313 . . . . 25.0 113.01 176.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.16 -8.17 64.75 Favored Glycine 0 C--O 1.225 -0.455 0 N-CA-C 115.975 1.15 . . . . 25.0 115.975 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HA ' HD21 ' A' ' 61' ' ' LEU . 33.1 mt -87.74 -36.4 17.36 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 118.218 1.009 . . . . 25.0 109.944 -177.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.3 -25.53 65.18 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.947 -1.024 . . . . 25.0 108.6 172.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -124.14 76.34 59.76 Favored Pre-proline 0 C--O 1.241 0.625 0 CA-C-N 115.288 -0.869 . . . . 25.0 112.164 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.695 ' HB3' HD22 ' A' ' 61' ' ' LEU . 37.2 Cg_endo -60.85 -28.06 85.8 Favored 'Trans proline' 0 C--O 1.215 -0.656 0 O-C-N 121.827 0.383 . . . . 25.0 112.77 178.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.32 93.07 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 122.311 -0.243 . . . . 25.0 111.379 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 80.5 mt -76.88 -39.34 51.34 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 110.112 -0.329 . . . . 25.0 110.112 -178.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.5 tp -66.85 -39.85 87.72 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 120.672 -0.411 . . . . 25.0 110.518 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -56.79 -46.19 81.7 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 109.273 -0.64 . . . . 25.0 109.273 174.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -64.3 -46.78 82.08 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.47 -0.332 . . . . 25.0 111.821 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 53.1 ttp -61.79 -41.3 97.56 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 120.715 0.293 . . . . 25.0 111.612 179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.9 mt -64.62 -42.48 95.47 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.628 -0.26 . . . . 25.0 111.059 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -63.89 -36.64 84.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.126 0.488 . . . . 25.0 110.121 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.38 -11.95 59.9 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.772 -0.649 . . . . 25.0 112.63 179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.426 ' HB3' ' HB2' ' A' ' 34' ' ' GLU . 24.5 t-20 -116.4 101.86 53.63 Favored Pre-proline 0 C--N 1.328 -0.336 0 N-CA-C 112.724 0.638 . . . . 25.0 112.724 -174.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -65.9 -26.5 51.68 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 N-CA-C 115.669 1.373 . . . . 25.0 115.669 -176.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -76.12 -42.03 48.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.712 0.768 . . . . 25.0 110.815 178.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB2' ' HB3' ' A' ' 31' ' ' ASN . 40.6 mm-40 -71.57 -37.35 71.06 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.383 -0.826 . . . . 25.0 109.358 -175.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.69 -28.88 67.25 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 121.759 -0.588 . . . . 25.0 110.327 176.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.3 t -74.0 -44.34 54.91 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.338 -0.392 . . . . 25.0 111.207 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -65.42 -31.5 72.63 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 122.163 0.982 . . . . 25.0 109.102 178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.7 tp -66.72 -45.99 76.93 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.985 -1.007 . . . . 25.0 112.128 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -70.13 -26.18 63.83 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 120.227 -0.589 . . . . 25.0 112.203 175.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -73.69 -51.85 15.26 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.205 0.526 . . . . 25.0 110.744 177.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -98.25 -24.12 15.38 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 115.711 1.745 . . . . 25.0 115.711 -170.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.7 t-20 -134.76 65.91 67.62 Favored Pre-proline 0 N--CA 1.474 0.75 0 N-CA-C 113.811 1.041 . . . . 25.0 113.811 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -54.66 -34.5 83.81 Favored 'Trans proline' 0 CA--C 1.552 1.389 0 N-CA-C 118.821 2.585 . . . . 25.0 118.821 -178.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -67.77 -34.08 25.51 Favored 'Trans proline' 0 C--N 1.362 1.268 1 C-N-CA 112.794 -4.338 . . . . 25.0 115.332 178.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -75.46 -32.76 60.73 Favored 'General case' 0 CA--C 1.516 -0.346 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.4 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -62.24 -50.12 72.99 Favored 'General case' 0 C--O 1.207 -1.137 0 N-CA-C 112.864 0.69 . . . . 25.0 112.864 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -59.34 -32.21 69.89 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 119.108 0.867 . . . . 25.0 110.686 -177.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.509 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -62.76 -44.47 96.11 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.421 -0.809 . . . . 25.0 110.94 175.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.64 -42.77 81.72 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.652 -0.703 . . . . 25.0 110.782 178.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 17.0 mt -62.98 -30.49 71.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.315 0.579 . . . . 25.0 110.938 -173.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.95 -22.95 60.63 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.617 -0.719 . . . . 25.0 112.329 -178.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.56 -22.06 18.81 Favored Glycine 0 CA--C 1.518 0.224 0 CA-C-N 116.509 -0.314 . . . . 25.0 112.702 -178.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -60.46 117.25 5.03 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 122.927 0.491 . . . . 25.0 112.006 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.36 -37.99 84.08 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.405 -0.518 . . . . 25.0 109.921 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -59.72 -52.57 64.93 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.673 -0.411 . . . . 25.0 110.374 -175.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.4 ptmt -64.95 -34.98 79.72 Favored 'General case' 0 C--O 1.221 -0.447 0 C-N-CA 120.499 -0.48 . . . . 25.0 110.16 178.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.509 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 77.3 t80 -63.86 -51.43 64.65 Favored 'General case' 0 C--O 1.217 -0.625 0 CA-C-N 118.258 0.481 . . . . 25.0 111.311 178.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.2 t -64.99 -38.55 91.34 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 122.688 0.395 . . . . 25.0 111.886 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -62.84 -46.38 88.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.887 0.375 . . . . 25.0 110.356 -179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 93.1 t -71.68 -34.31 51.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 108.592 -0.892 . . . . 25.0 108.592 179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.4 tp -58.37 -45.09 88.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 122.034 -0.416 . . . . 25.0 111.235 179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 p -72.17 -37.48 59.58 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.553 0 C-N-CA 120.072 -0.651 . . . . 25.0 110.841 179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -62.52 -38.92 91.82 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.5 -0.75 . . . . 25.0 111.015 176.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -60.89 -43.56 98.32 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -66.55 -36.13 81.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.883 0.327 . . . . 25.0 111.883 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -62.25 -37.55 85.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.978 0.418 . . . . 25.0 110.698 176.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -75.07 -37.16 61.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.435 0.636 . . . . 25.0 111.23 177.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -63.02 -37.48 87.36 Favored 'General case' 0 C--O 1.21 -1.01 0 CA-C-N 116.001 -0.545 . . . . 25.0 110.406 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.2 -30.89 60.86 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.172 0.434 . . . . 25.0 112.172 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.0 mtm-85 -70.83 -49.68 43.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.102 0.477 . . . . 25.0 111.638 178.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 ptm85 -78.53 -26.4 45.76 Favored 'General case' 0 N--CA 1.47 0.558 0 N-CA-C 113.025 0.75 . . . . 25.0 113.025 -176.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.8 -30.78 71.04 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 111.68 0.252 . . . . 25.0 111.68 -177.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -58.17 -40.18 80.78 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.547 -0.297 . . . . 25.0 111.058 177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -75.19 -35.85 61.49 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 121.909 -0.494 . . . . 25.0 110.394 176.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.31 -41.28 96.92 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.659 0.614 . . . . 25.0 112.659 -178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.8 pt -69.43 -21.8 25.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.161 -0.616 . . . . 25.0 110.028 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.27 -23.0 32.87 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 113.21 0.819 . . . . 25.0 113.21 177.37 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.2 tt -63.38 -49.69 72.84 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.486 0.491 . . . . 25.0 110.699 -175.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -68.2 104.0 1.71 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.767 0.794 . . . . 25.0 112.301 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.4 m -124.72 39.34 4.0 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.739 -1.119 . . . . 25.0 109.924 -176.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 58.74 37.52 25.05 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 122.141 0.972 . . . . 25.0 109.568 -174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -109.87 166.63 10.42 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 113.882 -1.508 . . . . 25.0 107.397 -177.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -71.68 161.21 45.92 Favored 'Trans proline' 0 C--N 1.349 0.562 0 C-N-CA 116.259 -2.028 . . . . 25.0 111.916 179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -88.24 13.92 10.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.42 0.628 . . . . 25.0 112.483 -175.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -84.23 52.49 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.366 -0.834 . . . . 25.0 109.034 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.3 pp -61.75 -34.87 76.62 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.658 -0.701 . . . . 25.0 112.042 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.8 -40.76 15.69 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 111.628 0.232 . . . . 25.0 111.628 176.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 47.68 28.1 1.19 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.505 1.298 . . . . 25.0 114.505 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -94.79 154.85 17.08 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.149 0.5 . . . . 25.0 111.867 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -71.93 137.09 47.12 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 105.916 -1.883 . . . . 25.0 105.916 172.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 53.2 tttt -146.81 166.79 25.6 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.502 -0.555 . . . . 25.0 109.502 -175.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.9 mt -127.58 126.15 66.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 103.316 -2.846 . . . . 25.0 103.316 176.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -129.52 161.26 30.87 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 105.656 -1.979 . . . . 25.0 105.656 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -135.61 144.5 46.15 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -149.83 80.07 1.38 Allowed 'General case' 0 N--CA 1.468 0.453 0 N-CA-C 106.058 -1.83 . . . . 25.0 106.058 172.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 10.3 mt -79.04 55.79 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.719 0 CA-C-O 122.466 1.127 . . . . 25.0 109.761 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -85.28 4.43 34.93 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 122.262 1.03 . . . . 25.0 112.961 -177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 . . . . . 0 C--O 1.212 -0.87 0 CA-C-O 124.798 2.237 . . . . 25.0 111.158 -179.637 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.4 m . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 124.277 1.989 . . . . 25.0 113.525 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -72.61 100.25 2.74 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-N 113.342 -1.754 . . . . 25.0 110.493 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -76.48 -10.9 59.74 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.266 -0.424 . . . . 25.0 111.769 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.9 t 58.42 19.58 6.59 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.624 0.77 . . . . 25.0 113.034 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -83.6 120.6 26.16 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.774 -0.825 . . . . 25.0 108.774 178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -92.58 7.03 45.06 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.252 0.548 . . . . 25.0 109.979 177.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.8 m -66.6 137.51 95.17 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 115.759 -0.655 . . . . 25.0 111.906 -176.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -72.21 155.51 56.27 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 115.567 -2.489 . . . . 25.0 109.345 173.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.58 -15.2 60.13 Favored Glycine 0 C--N 1.315 -0.59 0 CA-C-N 115.171 -0.922 . . . . 25.0 114.216 179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -74.87 24.42 0.09 Allowed 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 -179.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -81.48 4.81 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.418 -2.036 0 C-N-CA 125.014 1.326 . . . . 25.0 111.299 178.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 25.5 p -83.06 -13.86 54.93 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.545 -1.661 . . . . 25.0 109.798 178.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 62.6 m -130.86 171.61 12.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.359 -0.837 . . . . 25.0 109.169 -177.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 56.0 m -115.44 63.86 1.95 Allowed Pre-proline 0 C--N 1.325 -0.461 0 N-CA-C 112.135 0.42 . . . . 25.0 112.135 176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -70.46 -17.73 34.2 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 116.828 -1.648 . . . . 25.0 113.239 -177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -68.22 -1.89 7.04 Favored 'General case' 0 C--O 1.206 -1.189 0 N-CA-C 114.165 1.172 . . . . 25.0 114.165 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.69 34.82 21.22 Favored Glycine 0 C--O 1.218 -0.874 0 C-N-CA 118.97 -1.585 . . . . 25.0 112.912 176.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.2 mt -65.79 -32.56 74.16 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.51 -0.922 . . . . 25.0 108.51 174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -78.46 -25.87 46.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.755 -1.111 . . . . 25.0 110.231 175.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -119.85 76.08 20.96 Favored Pre-proline 0 C--O 1.241 0.647 0 CA-C-N 115.325 -0.852 . . . . 25.0 113.288 -177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.605 ' HB3' HD22 ' A' ' 61' ' ' LEU . 32.7 Cg_endo -59.76 -28.88 88.3 Favored 'Trans proline' 0 C--O 1.218 -0.479 0 O-C-N 121.615 0.271 . . . . 25.0 112.044 176.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -41.45 98.7 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 111.6 0.222 . . . . 25.0 111.6 179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 72.9 mt -77.94 -40.22 40.25 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 123.234 0.334 . . . . 25.0 110.368 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 26.5 tp -65.03 -42.52 94.26 Favored 'General case' 0 C--O 1.215 -0.712 0 C-N-CA 120.925 -0.31 . . . . 25.0 111.095 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 ttp85 -56.68 -44.56 81.57 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.148 -0.686 . . . . 25.0 109.148 176.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -66.01 -44.74 83.87 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 116.218 -0.447 . . . . 25.0 111.463 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 59.5 ttp -62.09 -41.13 97.88 Favored 'General case' 0 C--O 1.216 -0.666 0 CA-C-N 116.49 -0.323 . . . . 25.0 110.697 177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.0 mt -63.99 -44.26 93.21 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.475 -0.329 . . . . 25.0 111.826 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 39.9 mt -63.3 -34.81 78.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.106 0.479 . . . . 25.0 109.936 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.28 -12.18 59.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.852 -0.613 . . . . 25.0 112.608 178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.32 99.64 52.64 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.36 0.504 . . . . 25.0 112.36 -174.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -65.11 -25.61 58.29 Favored 'Trans proline' 0 C--N 1.345 0.374 0 N-CA-C 115.368 1.257 . . . . 25.0 115.368 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.0 t60 -75.98 -42.4 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 121.724 -0.61 . . . . 25.0 110.925 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -73.65 -38.0 65.12 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.661 -0.866 . . . . 25.0 108.661 -174.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.35 -30.28 71.1 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 121.932 -0.48 . . . . 25.0 110.735 177.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.8 -42.84 57.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.279 -0.419 . . . . 25.0 110.84 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.88 -33.19 75.28 Favored 'General case' 0 CA--C 1.483 -1.612 0 CA-C-O 121.667 0.746 . . . . 25.0 109.026 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.4 tp -65.75 -44.76 84.97 Favored 'General case' 0 N--CA 1.43 -1.427 0 CA-C-N 115.312 -0.858 . . . . 25.0 112.734 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -68.37 -28.8 67.43 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 119.647 -0.821 . . . . 25.0 111.78 175.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 tp10 -74.22 -51.84 14.2 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.539 0.685 . . . . 25.0 111.397 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -86.84 -28.93 22.6 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.755 1.391 . . . . 25.0 114.755 -174.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -137.4 68.2 53.87 Favored Pre-proline 0 N--CA 1.474 0.77 0 N-CA-C 114.14 1.163 . . . . 25.0 114.14 -177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.46 -36.42 88.0 Favored 'Trans proline' 0 CA--C 1.553 1.453 0 N-CA-C 118.153 2.328 . . . . 25.0 118.153 -179.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -69.24 -28.98 27.1 Favored 'Trans proline' 0 C--N 1.361 1.194 1 C-N-CA 112.765 -4.357 . . . . 25.0 116.222 177.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -75.46 -33.96 60.9 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 120.564 -1.335 . . . . 25.0 108.206 174.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.18 76.39 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 113.102 0.778 . . . . 25.0 113.102 178.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.12 -31.59 69.07 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 118.962 0.801 . . . . 25.0 111.094 -177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.83 -39.68 91.06 Favored 'General case' 0 N--CA 1.441 -0.898 0 CA-C-O 121.008 0.432 . . . . 25.0 110.965 176.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.54 -40.84 89.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.01 -0.541 . . . . 25.0 109.919 177.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -64.78 -31.43 72.66 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.228 0.537 . . . . 25.0 110.668 -176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -74.26 -21.94 59.54 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.594 -0.73 . . . . 25.0 111.832 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.02 -30.37 4.74 Favored Glycine 0 CA--C 1.517 0.185 0 C-N-CA 121.664 -0.303 . . . . 25.0 113.259 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.31 108.39 0.47 Allowed 'General case' 0 CA--C 1.512 -0.515 0 CA-C-O 122.894 1.33 . . . . 25.0 112.65 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -67.41 -32.3 73.1 Favored 'General case' 0 C--O 1.212 -0.899 0 CA-C-N 114.76 -1.109 . . . . 25.0 108.627 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -56.0 -47.36 77.91 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.358 -0.537 . . . . 25.0 112.13 175.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -74.44 -34.33 63.16 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 109.38 -0.6 . . . . 25.0 109.38 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -61.93 -51.47 68.01 Favored 'General case' 0 C--O 1.209 -1.048 0 C-N-CA 120.873 -0.331 . . . . 25.0 110.75 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.8 t -62.0 -39.21 91.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.896 0.379 . . . . 25.0 111.976 178.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.8 ttt180 -66.48 -49.7 65.73 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.882 0.372 . . . . 25.0 110.053 -178.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.9 p -70.08 -30.25 43.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.605 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -58.25 -46.21 86.38 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 122.07 -0.394 . . . . 25.0 110.951 176.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.3 p -76.87 -36.23 25.48 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.289 -0.564 . . . . 25.0 111.246 -179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.87 -37.09 86.1 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.596 -0.69 . . . . 25.0 110.233 176.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -63.13 -38.79 92.58 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 121.865 -0.522 . . . . 25.0 110.453 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -69.47 -32.47 71.4 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 121.878 -0.514 . . . . 25.0 110.87 178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.94 -38.99 90.05 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.936 -0.478 . . . . 25.0 109.768 174.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -68.69 -38.14 80.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.353 0.597 . . . . 25.0 111.001 177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -58.4 -41.95 86.05 Favored 'General case' 0 C--O 1.21 -1.002 0 CA-C-N 115.699 -0.682 . . . . 25.0 109.766 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.21 -31.0 69.74 Favored 'General case' 0 CA--C 1.542 0.671 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 80.9 mtt-85 -69.19 -49.65 54.64 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.917 -0.49 . . . . 25.0 110.373 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -74.35 -25.58 59.61 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-O 121.349 0.595 . . . . 25.0 112.169 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -53.44 -34.45 57.89 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.714 -0.675 . . . . 25.0 111.675 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -58.3 -35.66 72.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.247 0.546 . . . . 25.0 111.014 178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -79.82 -36.18 37.27 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.067 0.395 . . . . 25.0 112.067 173.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -65.5 -29.72 70.4 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.126 1.158 . . . . 25.0 114.126 -175.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.3 pt -62.56 -18.83 21.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 CA-C-N 117.876 0.307 . . . . 25.0 111.76 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.6 ttt85 -50.5 -32.77 19.16 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.105 0.409 . . . . 25.0 112.105 173.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 68.3 tp 62.38 -54.06 0.15 Allowed 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 117.536 2.421 . . . . 25.0 117.536 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -74.92 145.57 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.078 -0.389 . . . . 25.0 110.815 -176.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.6 m 60.36 43.97 12.82 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 124.145 0.903 . . . . 25.0 111.421 -177.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -139.71 29.77 2.11 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 107.183 -1.414 . . . . 25.0 107.183 177.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -69.83 156.25 92.08 Favored Pre-proline 0 CA--C 1.544 0.727 0 CA-C-N 114.144 -1.389 . . . . 25.0 112.121 -175.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -75.79 162.46 35.06 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 120.344 0.696 . . . . 25.0 113.631 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -122.1 8.88 9.83 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.025 0.917 . . . . 25.0 113.44 -177.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -96.81 48.19 1.06 Allowed 'General case' 0 C--N 1.312 -1.028 0 N-CA-C 105.658 -1.978 . . . . 25.0 105.658 177.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.2 pp -63.31 -29.53 70.83 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.094 -0.957 . . . . 25.0 111.615 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -80.95 -36.48 30.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.365 -0.38 . . . . 25.0 110.375 177.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 36.2 55.66 1.04 Allowed 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.826 1.25 . . . . 25.0 113.096 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -73.95 172.71 11.12 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.171 -0.922 . . . . 25.0 111.804 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.11 8.86 5.07 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.439 2.014 . . . . 25.0 116.439 174.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.2 pttm -78.4 154.2 30.9 Favored 'General case' 0 C--N 1.304 -1.37 0 CA-C-N 113.301 -1.772 . . . . 25.0 106.708 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 82.4 mt -135.52 119.32 24.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 106.147 -1.797 . . . . 25.0 106.147 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -107.12 160.32 15.65 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 178.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -150.8 156.38 41.14 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.002 -0.74 . . . . 25.0 109.002 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -163.25 57.63 0.19 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.175 -0.921 . . . . 25.0 110.737 175.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.5 pt -104.07 23.3 2.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 174.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -82.39 29.86 0.42 Allowed 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.08 -0.964 . . . . 25.0 113.384 -176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 . . . . . 0 CA--C 1.552 1.041 0 CA-C-O 124.927 2.299 . . . . 25.0 113.143 175.652 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.497 1.916 0 N-CA-C 114.717 1.377 . . . . 25.0 114.717 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -139.36 113.75 9.01 Favored 'General case' 0 C--N 1.339 0.148 0 N-CA-C 108.999 -0.741 . . . . 25.0 108.999 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -151.46 146.22 25.77 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 107.928 -1.138 . . . . 25.0 107.928 -178.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 19.3 p -83.87 140.8 31.75 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.249 -1.019 . . . . 25.0 108.249 176.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -121.05 -36.01 3.21 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 120.804 0.335 . . . . 25.0 111.482 178.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.48 140.86 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.771 -0.455 . . . . 25.0 109.771 178.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 68.7 m -154.29 156.21 31.57 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 106.553 -1.647 . . . . 25.0 106.553 177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -75.07 165.24 31.61 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 117.376 -1.282 . . . . 25.0 111.045 176.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -147.7 20.99 1.48 Allowed Glycine 0 C--O 1.222 -0.61 0 CA-C-N 115.625 -0.716 . . . . 25.0 113.618 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -91.18 26.6 2.13 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.363 1.078 . . . . 25.0 110.485 -178.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.6 mt -73.04 4.14 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.462 0 C-N-CA 125.752 1.621 . . . . 25.0 111.814 -177.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 p -64.2 141.96 58.58 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 114.851 -1.068 . . . . 25.0 112.504 -177.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -76.25 108.5 9.23 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.173 -0.467 . . . . 25.0 111.291 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.3 t -129.42 76.95 78.15 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 116.033 -0.531 . . . . 25.0 112.183 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -74.57 -6.92 18.92 Favored 'Trans proline' 0 C--N 1.348 0.521 0 CA-C-O 121.151 0.396 . . . . 25.0 113.079 175.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 70.5 -42.89 0.54 Allowed 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 126.512 1.925 . . . . 25.0 113.294 -178.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.0 15.86 7.87 Favored Glycine 0 C--O 1.223 -0.559 0 O-C-N 122.099 -0.376 . . . . 25.0 112.94 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -62.39 -37.43 85.74 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.791 -0.448 . . . . 25.0 109.791 174.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -84.15 -31.59 25.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 122.52 1.153 . . . . 25.0 108.44 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -114.65 86.97 13.57 Favored Pre-proline 0 C--O 1.242 0.668 0 N-CA-C 114.841 1.423 . . . . 25.0 114.841 -177.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.475 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.9 Cg_endo -62.15 -24.06 76.03 Favored 'Trans proline' 0 C--O 1.215 -0.658 0 C-N-CA 118.352 -0.632 . . . . 25.0 113.064 176.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.05 -41.99 97.19 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.889 -0.324 . . . . 25.0 110.229 178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.6 mt -74.49 -40.38 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.655 0.264 . . . . 25.0 110.492 179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD23 HD11 ' A' ' 61' ' ' LEU . 1.6 tp -64.53 -39.51 93.9 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.51 -0.476 . . . . 25.0 110.546 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -58.86 -43.94 90.92 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 176.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.87 -45.82 80.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.832 0.349 . . . . 25.0 111.367 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 33.6 ttp -59.77 -45.61 91.75 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 120.923 0.392 . . . . 25.0 110.866 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mt -62.61 -44.43 96.32 Favored 'General case' 0 C--O 1.215 -0.748 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.867 -177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.3 mt -65.11 -33.87 77.06 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.923 0.392 . . . . 25.0 110.651 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.5 -12.11 59.88 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 178.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -114.86 99.94 52.76 Favored Pre-proline 0 C--O 1.235 0.34 0 CA-C-O 120.868 0.366 . . . . 25.0 111.837 -175.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.53 -25.67 55.07 Favored 'Trans proline' 0 C--N 1.345 0.361 0 N-CA-C 115.414 1.275 . . . . 25.0 115.414 -175.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.1 t60 -76.13 -43.15 44.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.386 0.613 . . . . 25.0 110.797 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.25 -38.27 71.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.845 -0.798 . . . . 25.0 108.845 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -30.27 70.46 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.955 -0.466 . . . . 25.0 110.66 178.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -74.65 -43.04 57.31 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.549 -178.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.84 -31.58 72.29 Favored 'General case' 0 CA--C 1.487 -1.469 0 CA-C-O 121.868 0.842 . . . . 25.0 109.243 178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.8 tp -66.35 -46.44 76.76 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.918 -1.037 . . . . 25.0 111.775 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -69.56 -26.2 64.37 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 120.074 -0.651 . . . . 25.0 112.201 174.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -72.68 -51.88 17.58 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.179 0.514 . . . . 25.0 110.69 177.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -101.65 -20.81 14.86 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 117.4 2.37 . . . . 25.0 117.4 -170.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.9 t-20 -133.16 64.95 72.14 Favored Pre-proline 0 C--N 1.317 -0.824 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 178.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -55.33 -33.53 85.54 Favored 'Trans proline' 0 CA--C 1.548 1.19 0 N-CA-C 118.335 2.398 . . . . 25.0 118.335 -178.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -67.85 -32.32 29.64 Favored 'Trans proline' 0 C--N 1.364 1.354 1 C-N-CA 112.344 -4.637 . . . . 25.0 115.236 178.119 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.2 tp -75.52 -36.05 60.61 Favored 'General case' 0 CA--C 1.517 -0.307 0 O-C-N 121.008 -1.057 . . . . 25.0 108.337 176.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -49.41 76.69 Favored 'General case' 0 C--O 1.21 -1.02 0 N-CA-C 113.064 0.765 . . . . 25.0 113.064 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -60.13 -31.47 70.09 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.889 0.768 . . . . 25.0 110.999 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.453 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -65.4 -38.39 89.83 Favored 'General case' 0 N--CA 1.439 -1.01 0 CA-C-N 115.893 -0.594 . . . . 25.0 110.805 177.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.1 tp -69.0 -42.96 75.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.265 -0.425 . . . . 25.0 110.219 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -64.38 -31.18 72.29 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.255 0.55 . . . . 25.0 111.182 -175.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.86 -23.18 63.24 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.416 -0.811 . . . . 25.0 111.871 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.95 -28.14 4.66 Favored Glycine 0 N--CA 1.46 0.275 0 CA-C-O 121.405 0.447 . . . . 25.0 111.987 -177.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 62.9 m-20 -57.67 101.79 0.08 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.776 1.23 . . . . 25.0 111.908 178.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 11.0 tp -63.13 -35.41 80.18 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.492 -0.755 . . . . 25.0 110.602 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.75 -35.02 70.16 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.43 -0.508 . . . . 25.0 111.15 -177.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.4 ptmt -83.29 -36.69 24.29 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 120.73 -0.388 . . . . 25.0 110.189 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.439 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 86.8 t80 -58.3 -48.4 80.63 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 120.645 -0.422 . . . . 25.0 110.418 176.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.6 t -65.32 -40.65 94.0 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 178.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -60.49 -45.7 92.8 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-O 120.909 0.385 . . . . 25.0 110.448 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 41.2 t -73.91 -33.23 36.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.475 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.7 tp -57.12 -46.61 82.49 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.978 -0.451 . . . . 25.0 111.265 179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -69.97 -36.19 67.74 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 120.365 -0.534 . . . . 25.0 110.905 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -62.81 -43.06 99.8 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.553 0.692 . . . . 25.0 109.913 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -68.28 -33.91 75.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 122.048 -0.407 . . . . 25.0 110.887 177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -67.66 -37.06 81.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 118.124 0.42 . . . . 25.0 111.895 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -61.57 -42.39 98.77 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.416 -0.587 . . . . 25.0 109.416 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -74.41 -35.37 63.42 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.159 -0.616 . . . . 25.0 111.458 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -59.15 -39.3 81.99 Favored 'General case' 0 C--O 1.207 -1.143 0 CA-C-O 119.1 -0.476 . . . . 25.0 110.157 177.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.35 -34.28 72.18 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.774 0.321 . . . . 25.0 111.151 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -70.13 -46.2 65.26 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 109.559 -0.534 . . . . 25.0 109.559 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -62.98 -35.67 80.93 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 121.312 0.577 . . . . 25.0 109.952 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -61.22 -34.61 75.39 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.543 -0.753 . . . . 25.0 112.699 -173.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -58.34 -41.3 84.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.465 0.65 . . . . 25.0 109.669 179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -75.45 -35.03 60.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.982 -0.554 . . . . 25.0 111.378 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 26.5 mtp-105 -64.51 -42.28 95.91 Favored 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.6 pt -73.76 -18.77 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.949 0.404 . . . . 25.0 111.073 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 22.9 mtp180 -82.88 -16.18 48.54 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -93.3 170.05 9.92 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 107.278 -1.379 . . . . 25.0 107.278 177.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -114.73 148.12 38.76 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.44 150.92 35.54 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 104.019 -2.586 . . . . 25.0 104.019 177.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.43 40.56 0.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 -177.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.17 142.34 97.76 Favored Pre-proline 0 C--N 1.322 -0.622 0 CA-C-N 115.211 -0.904 . . . . 25.0 111.423 -175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_endo -76.59 161.48 34.02 Favored 'Trans proline' 0 C--N 1.347 0.47 0 N-CA-C 113.43 0.512 . . . . 25.0 113.43 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -107.93 -9.98 15.6 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-O 123.901 1.81 . . . . 25.0 109.926 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -102.09 53.16 0.81 Allowed 'General case' 0 C--N 1.303 -1.452 0 CA-C-N 111.553 -2.567 . . . . 25.0 107.117 -176.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 69.6 mt -60.49 -39.03 86.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.657 -1.156 . . . . 25.0 109.96 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.95 -33.42 22.66 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.046 -0.525 . . . . 25.0 111.309 176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 49.25 30.18 3.0 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 114.497 1.295 . . . . 25.0 114.497 -177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -114.54 157.55 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 50.69 -156.68 0.11 Allowed 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.631 1.345 . . . . 25.0 114.631 173.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -167.28 168.53 13.25 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 106.262 -1.755 . . . . 25.0 106.262 179.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 89.9 mt -124.51 117.72 51.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 103.688 -2.708 . . . . 25.0 103.688 173.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -92.31 158.32 16.17 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.193 -1.04 . . . . 25.0 108.193 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -120.8 129.36 53.54 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 -178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -136.66 69.93 1.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 122.434 1.112 . . . . 25.0 108.096 168.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.2 pt -77.82 21.97 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 114.908 -1.042 . . . . 25.0 112.359 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 -83.96 42.27 0.85 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.888 0.851 . . . . 25.0 112.991 -174.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.484 1.244 0 C-N-CA 125.962 1.705 . . . . 25.0 114.799 178.081 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 114.788 1.403 . . . . 25.0 114.788 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -86.23 140.49 30.08 Favored 'General case' 0 C--O 1.231 0.125 0 N-CA-C 107.566 -1.272 . . . . 25.0 107.566 175.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -68.01 144.69 55.03 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.896 -0.779 . . . . 25.0 108.896 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 27.6 p -163.89 178.82 7.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.517 -2.031 . . . . 25.0 105.517 -177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -118.56 148.34 42.76 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.341 -0.985 . . . . 25.0 108.341 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 m -65.73 145.6 55.8 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 110.328 -0.249 . . . . 25.0 110.328 178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.6 t -119.52 84.69 30.39 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.072 -0.344 . . . . 25.0 110.072 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -74.29 173.59 13.93 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 118.495 -0.537 . . . . 25.0 111.949 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.412 ' C ' ' H ' ' A' ' 11' ' ' ILE . . . 95.5 27.8 10.27 Favored Glycine 0 C--O 1.225 -0.425 0 C-N-CA 121.034 -0.603 . . . . 25.0 112.799 178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -77.74 29.36 0.16 Allowed 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.124 0.964 . . . . 25.0 112.604 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.412 ' H ' ' C ' ' A' ' 9' ' ' GLY . 6.1 mt -95.34 28.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 105.644 -1.984 . . . . 25.0 105.644 173.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.4 p -141.97 172.65 12.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.092 -0.958 . . . . 25.0 108.658 -173.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.5 m -68.9 170.47 9.64 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.434 -0.348 . . . . 25.0 111.096 177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 9.7 p -107.28 76.42 0.49 Allowed Pre-proline 0 CA--C 1.54 0.587 0 N-CA-C 113.61 0.967 . . . . 25.0 113.61 -178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -68.6 -26.22 33.84 Favored 'Trans proline' 0 C--N 1.351 0.701 0 C-N-CA 116.546 -1.836 . . . . 25.0 112.485 177.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -75.54 -14.57 60.41 Favored 'General case' 0 C--O 1.213 -0.862 0 O-C-N 121.967 -0.458 . . . . 25.0 109.952 176.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.95 -20.08 76.54 Favored Glycine 0 N--CA 1.448 -0.54 0 N-CA-C 109.595 -1.402 . . . . 25.0 109.595 175.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.6 mt -77.48 -37.72 50.71 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.065 -0.717 . . . . 25.0 109.065 177.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -75.36 -34.37 61.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 122.377 1.084 . . . . 25.0 109.343 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -118.8 82.69 21.0 Favored Pre-proline 0 C--O 1.241 0.606 0 CA-C-N 114.975 -1.011 . . . . 25.0 111.373 177.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.727 ' HB3' HD22 ' A' ' 61' ' ' LEU . 24.7 Cg_endo -59.37 -25.9 80.03 Favored 'Trans proline' 0 C--O 1.216 -0.618 0 O-C-N 121.704 0.318 . . . . 25.0 112.555 175.118 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.23 91.24 Favored 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.379 -0.201 . . . . 25.0 111.231 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 83.6 mt -77.99 -39.23 43.0 Favored 'General case' 0 C--O 1.221 -0.445 0 O-C-N 123.619 0.574 . . . . 25.0 110.725 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.3 tp -66.15 -40.06 90.29 Favored 'General case' 0 C--O 1.218 -0.587 0 C-N-CA 120.569 -0.452 . . . . 25.0 110.573 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -57.49 -43.64 84.29 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.841 -0.8 . . . . 25.0 108.841 176.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.49 -46.99 77.56 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.826 -0.624 . . . . 25.0 111.445 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 37.7 ttp -60.26 -44.73 95.04 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-O 121.002 0.429 . . . . 25.0 111.019 178.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 mt -62.3 -43.04 99.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.021 -0.536 . . . . 25.0 111.989 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -65.01 -35.14 80.22 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 120.729 -0.389 . . . . 25.0 110.432 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.03 -9.4 59.84 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.459 179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -116.93 100.39 53.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 O-C-N 121.74 -0.6 . . . . 25.0 111.7 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -64.95 -25.27 59.66 Favored 'Trans proline' 0 C--N 1.345 0.393 0 N-CA-C 114.986 1.11 . . . . 25.0 114.986 -176.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.3 t-160 -76.01 -45.62 33.61 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.877 -0.514 . . . . 25.0 109.742 178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.52 -38.64 81.06 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 -174.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -30.46 70.33 Favored 'General case' 0 C--N 1.318 -0.804 0 O-C-N 121.517 -0.739 . . . . 25.0 111.643 178.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.5 p -77.09 -35.08 56.8 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.671 0.389 . . . . 25.0 111.561 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -73.63 -33.8 64.7 Favored 'General case' 0 CA--C 1.48 -1.716 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 177.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 tp -63.53 -42.73 98.4 Favored 'General case' 0 N--CA 1.436 -1.165 0 CA-C-N 115.752 -0.658 . . . . 25.0 112.75 -179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -66.33 -25.99 67.08 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 119.915 -0.714 . . . . 25.0 112.312 175.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -80.74 -51.86 8.18 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 121.018 0.437 . . . . 25.0 111.084 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.3 mmt180 -76.29 -35.46 58.85 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 114.375 1.25 . . . . 25.0 114.375 -177.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.403 HD21 ' CD ' ' A' ' 64' ' ' GLN . 34.7 t-20 -140.18 70.67 34.21 Favored Pre-proline 0 C--O 1.242 0.703 0 N-CA-C 112.861 0.689 . . . . 25.0 112.861 -176.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.3 -37.69 88.52 Favored 'Trans proline' 0 CA--C 1.552 1.398 0 N-CA-C 117.992 2.266 . . . . 25.0 117.992 -179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_endo -69.2 -28.92 27.38 Favored 'Trans proline' 0 C--N 1.36 1.158 1 C-N-CA 112.536 -4.509 . . . . 25.0 116.286 177.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 28.6 tp -71.55 -36.98 71.15 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 120.465 -1.397 . . . . 25.0 107.853 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.25 -49.11 78.42 Favored 'General case' 0 C--O 1.208 -1.109 0 CA-C-N 115.258 -0.883 . . . . 25.0 112.702 -179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -61.32 -31.45 71.3 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 119.344 0.974 . . . . 25.0 111.092 -177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.457 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -64.95 -39.67 93.85 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 116.062 -0.517 . . . . 25.0 110.402 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.4 tp -66.84 -42.57 85.56 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.407 -0.361 . . . . 25.0 110.546 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -63.08 -27.31 69.31 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.122 0.487 . . . . 25.0 111.138 -174.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 43.0 m -74.85 -21.79 59.06 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.263 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.51 -27.48 6.35 Favored Glycine 0 CA--C 1.521 0.415 0 C-N-CA 121.48 -0.39 . . . . 25.0 112.554 -178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -58.42 102.56 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 124.372 1.069 . . . . 25.0 111.808 177.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -61.97 -35.19 77.74 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 108.218 -1.03 . . . . 25.0 108.218 177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.77 -45.41 86.0 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 119.911 -0.716 . . . . 25.0 112.132 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.1 ptmt -73.32 -33.91 65.4 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 118.729 0.695 . . . . 25.0 110.477 177.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -59.73 -51.01 71.6 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 120.527 -0.469 . . . . 25.0 109.918 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.7 t -63.91 -39.91 95.26 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.493 0.553 . . . . 25.0 112.493 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -61.27 -43.95 98.03 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-O 121.323 0.582 . . . . 25.0 110.408 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.2 t -74.03 -35.85 42.92 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.865 0 N-CA-C 109.848 -0.427 . . . . 25.0 109.848 179.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.727 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.5 tp -59.85 -45.31 92.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.724 -0.216 . . . . 25.0 110.733 179.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -68.9 -34.52 64.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 121.954 -0.466 . . . . 25.0 110.838 -178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -62.21 -46.41 89.03 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.829 -0.544 . . . . 25.0 110.162 175.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.403 ' CD ' HD21 ' A' ' 42' ' ' ASN . 22.1 mt-30 -63.79 -30.18 71.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.636 -0.665 . . . . 25.0 112.502 175.284 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -72.05 -33.88 68.32 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.282 -0.567 . . . . 25.0 111.746 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 63.2 mt-30 -68.1 -37.65 81.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.297 -1.001 . . . . 25.0 108.297 173.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -70.66 -35.7 73.0 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.45 0.537 . . . . 25.0 112.45 -178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.9 ptt-85 -63.08 -40.23 97.06 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 108.451 -0.944 . . . . 25.0 108.451 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.44 68.33 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 123.429 0.455 . . . . 25.0 112.176 -178.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.0 mtm-85 -67.15 -47.55 70.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.022 0.439 . . . . 25.0 111.117 179.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -79.21 -26.34 42.58 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.249 0.833 . . . . 25.0 113.249 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -57.12 -30.86 64.74 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -57.48 -36.71 71.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.89 0.376 . . . . 25.0 110.981 176.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -79.87 -38.11 33.38 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 121.971 -0.456 . . . . 25.0 111.946 172.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 74.3 mtp85 -60.5 -30.65 69.85 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.723 1.379 . . . . 25.0 114.723 -175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.7 pt -64.83 -18.76 24.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 N-CA-C 112.199 0.444 . . . . 25.0 112.199 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -69.62 -11.53 60.91 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 122.531 0.333 . . . . 25.0 111.313 178.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? 68.57 130.91 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 126.626 1.97 . . . . 25.0 115.807 171.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -140.4 -175.53 4.3 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.619 -1.623 . . . . 25.0 106.619 -174.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 m -35.42 106.27 0.04 OUTLIER 'General case' 0 CA--C 1.513 -0.477 0 C-N-CA 125.612 1.565 . . . . 25.0 113.474 177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -91.37 54.54 2.57 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 113.487 -1.688 . . . . 25.0 109.351 -174.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -68.52 154.94 93.79 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 114.224 -1.353 . . . . 25.0 110.543 -176.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -70.84 164.13 36.68 Favored 'Trans proline' 0 C--N 1.348 0.512 0 N-CA-C 113.332 0.474 . . . . 25.0 113.332 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -113.79 14.03 18.59 Favored 'General case' 0 C--O 1.219 -0.532 0 CA-C-N 115.84 -0.618 . . . . 25.0 109.423 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 46.6 t0 69.9 114.72 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.471 1.508 . . . . 25.0 114.669 -177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 pp -75.4 -22.2 57.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.358 -1.292 . . . . 25.0 112.303 178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -77.78 -21.05 52.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.01 0.434 . . . . 25.0 110.555 -179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -77.49 29.83 0.15 Allowed 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 123.803 0.841 . . . . 25.0 112.495 177.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -89.65 163.87 14.96 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 116.168 1.914 . . . . 25.0 116.168 -174.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 60.94 -159.59 0.32 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 115.731 1.752 . . . . 25.0 115.731 173.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.6 pttt -146.17 -174.97 4.58 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 107.997 -1.112 . . . . 25.0 107.997 -170.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 73.4 mt -122.1 113.62 39.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 107.406 -1.331 . . . . 25.0 107.406 175.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 14.1 mp0 -91.42 127.68 36.95 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.424 -0.353 . . . . 25.0 110.112 177.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -127.7 150.98 49.53 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.15 -1.055 . . . . 25.0 108.15 175.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -145.41 100.38 3.44 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.897 0.856 . . . . 25.0 109.134 176.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 pt -94.99 12.3 3.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 122.2 1.0 . . . . 25.0 112.266 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -88.6 63.03 6.79 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.992 -1.004 . . . . 25.0 109.359 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 126.586 3.089 . . . . 25.0 110.459 -177.427 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 124.091 1.901 . . . . 25.0 113.939 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -135.37 151.86 50.88 Favored 'General case' 0 C--O 1.227 -0.127 0 CA-C-N 113.513 -1.676 . . . . 25.0 107.864 179.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -150.74 149.36 29.68 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.48 -0.933 . . . . 25.0 108.48 178.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 42.1 t -162.46 150.4 14.21 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.366 -1.346 . . . . 25.0 107.366 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.7 m-70 -137.51 -48.47 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.967 -0.753 . . . . 25.0 108.967 176.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m 59.83 -174.32 0.11 Allowed 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.807 1.04 . . . . 25.0 113.807 176.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.3 p -143.66 75.95 16.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -75.66 170.0 21.13 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 118.454 -0.564 . . . . 25.0 112.359 -175.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.74 28.85 13.62 Favored Glycine 0 C--O 1.227 -0.287 0 CA-C-N 115.91 -0.586 . . . . 25.0 114.009 -173.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -81.79 49.74 1.4 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 122.084 0.945 . . . . 25.0 112.098 -174.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 6.5 mm -77.34 4.32 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.414 0 CA-C-O 122.875 1.321 . . . . 25.0 110.261 178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.1 p -123.96 145.26 49.29 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 105.842 -1.91 . . . . 25.0 105.842 176.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.0 t -142.93 148.71 37.36 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.349 0.595 . . . . 25.0 111.888 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.64 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 36.3 m -158.99 -46.87 0.01 OUTLIER Pre-proline 0 CA--C 1.549 0.942 0 C-N-CA 124.538 1.135 . . . . 25.0 112.407 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.64 ' HD2' ' H ' ' A' ' 14' ' ' SER . 59.4 Cg_endo -66.46 -9.49 24.28 Favored 'Trans proline' 0 C--N 1.368 1.566 0 N-CA-C 116.072 1.528 . . . . 25.0 116.072 -179.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.7 tt0 -57.77 -14.76 6.35 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.939 -1.028 . . . . 25.0 111.652 171.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.64 13.37 63.09 Favored Glycine 0 C--O 1.226 -0.355 0 C-N-CA 121.436 -0.411 . . . . 25.0 112.749 175.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 pp -64.85 -31.97 73.45 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.643 0.608 . . . . 25.0 112.643 -178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -85.23 -30.33 23.92 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.41 0.624 . . . . 25.0 110.283 177.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -116.66 78.39 8.85 Favored Pre-proline 0 N--CA 1.445 -0.691 0 N-CA-C 116.637 2.088 . . . . 25.0 116.637 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.533 ' HB3' HD22 ' A' ' 61' ' ' LEU . 31.4 Cg_endo -60.88 -27.94 85.59 Favored 'Trans proline' 0 C--O 1.218 -0.524 0 N-CA-C 113.474 0.528 . . . . 25.0 113.474 174.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.3 93.09 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.876 -0.329 . . . . 25.0 110.364 -179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 82.7 mt -76.91 -37.07 56.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.286 -0.415 . . . . 25.0 110.788 -179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.6 tp -65.48 -41.36 93.39 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.603 -0.439 . . . . 25.0 110.203 -179.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ttp180 -57.53 -45.07 85.47 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.454 -0.573 . . . . 25.0 109.454 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -66.05 -43.24 88.09 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.94 0.4 . . . . 25.0 111.483 -177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -59.95 -49.29 78.28 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 121.259 0.552 . . . . 25.0 109.731 177.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.9 mt -59.9 -44.01 94.51 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.476 -0.784 . . . . 25.0 111.992 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.66 -36.19 83.03 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.885 0.374 . . . . 25.0 110.589 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.45 -14.39 58.94 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.352 0.501 . . . . 25.0 112.352 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 36.6 t-20 -111.26 98.48 39.86 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 120.943 0.402 . . . . 25.0 111.864 -174.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.5 -25.2 63.0 Favored 'Trans proline' 0 C--N 1.346 0.406 0 N-CA-C 114.992 1.112 . . . . 25.0 114.992 -176.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -76.07 -44.11 40.49 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 121.853 -0.529 . . . . 25.0 111.133 178.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -71.56 -39.71 70.45 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.61 -0.885 . . . . 25.0 108.61 -174.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.28 -30.52 71.64 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 121.747 -0.595 . . . . 25.0 111.111 177.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 52.4 p -76.46 -35.98 58.14 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 120.722 0.296 . . . . 25.0 111.576 -179.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.56 -33.19 66.62 Favored 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.06 -44.5 95.64 Favored 'General case' 0 N--CA 1.435 -1.215 0 CA-C-N 115.271 -0.877 . . . . 25.0 111.978 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -69.51 -26.05 64.34 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 119.742 -0.783 . . . . 25.0 112.652 175.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -76.16 -50.79 13.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.403 0.621 . . . . 25.0 110.784 176.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -82.61 -36.12 26.41 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.925 1.454 . . . . 25.0 114.925 -175.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.0 t-20 -135.1 69.1 70.23 Favored Pre-proline 0 N--CA 1.472 0.656 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -175.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -55.05 -35.9 91.43 Favored 'Trans proline' 0 CA--C 1.553 1.444 0 N-CA-C 118.402 2.424 . . . . 25.0 118.402 -179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -69.69 -29.77 23.69 Favored 'Trans proline' 0 C--N 1.362 1.27 1 C-N-CA 112.336 -4.643 . . . . 25.0 115.941 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.5 tp -75.37 -33.54 61.06 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 120.842 -1.162 . . . . 25.0 108.046 175.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.13 77.42 Favored 'General case' 0 C--O 1.21 -0.978 0 CA-C-N 115.857 -0.61 . . . . 25.0 112.457 178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -59.89 -31.48 69.84 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.292 0.951 . . . . 25.0 110.999 -177.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.499 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -60.79 -43.08 98.56 Favored 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 116.073 -0.512 . . . . 25.0 110.967 175.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.9 tp -68.22 -43.99 76.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.697 -0.683 . . . . 25.0 111.08 177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.1 mt -63.14 -28.89 70.37 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.592 0.711 . . . . 25.0 110.524 -174.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.429 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . 7.9 t -74.03 -23.31 59.39 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.031 -0.986 . . . . 25.0 112.359 -178.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.83 -18.37 39.85 Favored Glycine 0 CA--C 1.517 0.204 0 CA-C-O 121.258 0.365 . . . . 25.0 112.983 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -68.13 113.28 5.64 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.946 0.403 . . . . 25.0 111.741 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.22 -36.23 83.5 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 109.273 -0.639 . . . . 25.0 109.273 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.79 -48.49 81.55 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 121.955 -0.465 . . . . 25.0 110.696 -176.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 13.7 ptmt -67.63 -36.23 80.41 Favored 'General case' 0 C--O 1.216 -0.659 0 C-N-CA 120.07 -0.652 . . . . 25.0 109.84 177.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.499 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 81.6 t80 -62.12 -50.31 72.41 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 118.304 0.502 . . . . 25.0 111.332 178.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.2 t -64.36 -40.76 96.49 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.437 0.532 . . . . 25.0 112.437 178.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.6 tmm_? -63.84 -45.89 87.48 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 122.089 -0.382 . . . . 25.0 110.182 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.4 t -68.78 -32.78 56.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 21' ' ' PRO . 4.0 tp -56.23 -42.87 77.98 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 122.033 -0.417 . . . . 25.0 111.054 177.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 65.9 t -67.93 -44.71 84.92 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 O-C-N 122.176 -0.327 . . . . 25.0 110.4 178.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -59.23 -40.3 85.45 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.693 0.759 . . . . 25.0 110.354 179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 92.0 mm-40 -68.33 -34.81 76.78 Favored 'General case' 0 C--O 1.215 -0.719 0 CA-C-N 116.059 -0.519 . . . . 25.0 110.748 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 58.8 mt-30 -65.63 -31.81 73.04 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 118.224 0.466 . . . . 25.0 110.786 176.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -64.67 -44.26 90.92 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.81 0.732 . . . . 25.0 109.999 176.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -66.73 -40.11 88.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.526 0.679 . . . . 25.0 111.2 177.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -62.36 -42.44 99.41 Favored 'General case' 0 C--O 1.2 -1.528 0 N-CA-C 108.301 -1.0 . . . . 25.0 108.301 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.12 -32.42 64.2 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 118.286 0.494 . . . . 25.0 112.259 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -73.89 -47.97 34.27 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.88 -0.513 . . . . 25.0 111.087 178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -85.89 -29.65 23.5 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 116.73 2.122 . . . . 25.0 116.73 -175.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -67.43 -32.59 73.56 Favored 'General case' 0 C--N 1.316 -0.87 0 O-C-N 121.832 -0.543 . . . . 25.0 110.471 -174.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -59.09 -33.86 71.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.533 -0.303 . . . . 25.0 110.913 177.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -70.73 -34.88 72.36 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.905 0.383 . . . . 25.0 110.795 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 33.8 mtp-105 -71.33 -54.02 12.21 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 111.918 0.34 . . . . 25.0 111.918 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.8 pt -64.22 -17.45 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 122.743 0.417 . . . . 25.0 111.699 -177.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -18.46 32.75 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.223 -0.444 . . . . 25.0 111.392 173.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.8 tp -128.73 -50.82 1.25 Allowed 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -144.05 156.78 44.51 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-O 120.691 0.282 . . . . 25.0 111.213 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.7 t -135.52 159.12 42.59 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 103.419 -2.808 . . . . 25.0 103.419 171.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -153.49 35.78 0.46 Allowed 'General case' 0 C--N 1.32 -0.689 0 O-C-N 123.733 0.645 . . . . 25.0 110.66 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.36 152.57 76.1 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 105.606 -1.998 . . . . 25.0 105.606 175.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.92 158.36 50.02 Favored 'Trans proline' 0 CA--C 1.533 0.426 0 C-N-CA 116.977 -1.549 . . . . 25.0 110.829 177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -95.17 16.63 15.99 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 113.22 0.822 . . . . 25.0 113.22 -169.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.99 44.17 0.38 Allowed 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 122.061 0.934 . . . . 25.0 111.897 -178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 35.3 mt -68.78 -28.84 67.14 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 108.553 -0.906 . . . . 25.0 108.553 178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -72.84 -29.41 63.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.003 -0.999 . . . . 25.0 112.671 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -78.47 14.24 1.32 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 114.51 1.3 . . . . 25.0 114.51 -175.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -88.83 126.21 35.26 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.678 0.751 . . . . 25.0 112.162 -176.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -157.63 166.12 33.7 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.298 -1.001 . . . . 25.0 108.298 -179.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 92.1 mttt -134.54 139.53 45.48 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 108.121 -1.066 . . . . 25.0 108.121 176.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.0 mt -138.01 131.13 41.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 103.473 -2.788 . . . . 25.0 103.473 179.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.2 pt-20 -127.44 167.47 16.2 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 106.383 -1.71 . . . . 25.0 106.383 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -130.22 151.64 50.52 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.713 1.005 . . . . 25.0 113.713 -174.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -140.68 56.24 1.58 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.769 -1.197 . . . . 25.0 107.769 173.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.1 pt -87.7 44.51 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 122.179 0.99 . . . . 25.0 109.385 179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -82.29 14.79 2.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 115.723 -0.672 . . . . 25.0 112.151 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 . . . . . 0 N--CA 1.482 1.171 0 C-N-CA 125.956 1.702 . . . . 25.0 114.762 175.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.489 1.485 0 CA-C-O 123.32 1.533 . . . . 25.0 113.869 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 54.8 60.08 3.7 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 112.97 -1.923 . . . . 25.0 112.197 177.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -101.79 154.86 18.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.874 -0.603 . . . . 25.0 110.862 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -63.84 142.14 58.51 Favored 'General case' 0 C--O 1.221 -0.436 0 CA-C-N 116.242 -0.435 . . . . 25.0 110.919 179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.6 p-80 -141.8 44.98 1.7 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.775 -0.824 . . . . 25.0 108.775 -176.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 m -146.34 12.2 1.19 Allowed 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 113.842 1.053 . . . . 25.0 113.842 -176.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.6 t -86.78 135.41 35.7 Favored Pre-proline 0 CA--C 1.539 0.545 0 O-C-N 122.16 -0.338 . . . . 25.0 110.747 -176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -81.61 54.67 5.21 Favored 'Trans proline' 0 C--N 1.349 0.593 0 N-CA-C 115.054 1.136 . . . . 25.0 115.054 -178.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -74.74 41.9 1.25 Allowed Glycine 0 C--N 1.312 -0.751 0 N-CA-C 116.873 1.509 . . . . 25.0 116.873 -177.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.19 17.56 18.31 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 122.665 1.221 . . . . 25.0 112.397 -177.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.61 28.73 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.419 -1.995 0 C-N-CA 126.604 1.962 . . . . 25.0 113.111 -178.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.0 t -80.54 145.85 31.59 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.538 0.685 . . . . 25.0 110.273 -178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.6 p -85.35 164.44 17.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.504 -1.295 . . . . 25.0 107.504 175.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.8 m -116.79 58.51 1.94 Allowed Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 114.926 1.454 . . . . 25.0 114.926 -178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -74.83 -12.08 21.85 Favored 'Trans proline' 0 C--N 1.353 0.78 0 C-N-CA 117.936 -0.909 . . . . 25.0 113.405 -179.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -72.37 27.39 0.05 Allowed 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 114.74 -1.118 . . . . 25.0 114.003 -178.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 66.8 17.08 66.87 Favored Glycine 0 C--O 1.223 -0.593 0 N-CA-C 114.831 0.692 . . . . 25.0 114.831 177.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.6 -36.26 73.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.343 0.592 . . . . 25.0 110.658 -176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -75.96 -23.07 55.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.04 -0.982 . . . . 25.0 109.918 178.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -124.3 76.96 61.35 Favored Pre-proline 0 N--CA 1.448 -0.545 0 N-CA-C 113.791 1.034 . . . . 25.0 113.791 -176.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.674 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.5 Cg_endo -59.14 -32.01 96.44 Favored 'Trans proline' 0 C--O 1.214 -0.714 0 O-C-N 121.738 0.336 . . . . 25.0 112.917 174.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.42 -47.1 85.57 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.883 -0.327 . . . . 25.0 110.733 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.9 mt -71.27 -38.22 71.85 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.904 -0.406 . . . . 25.0 109.904 -178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.3 tp -67.08 -39.69 86.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.541 -0.299 . . . . 25.0 111.238 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -59.85 -45.55 92.07 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.543 -1.28 . . . . 25.0 107.543 178.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.31 -44.31 91.98 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.231 -0.895 . . . . 25.0 112.08 -177.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 45.6 ttp -61.8 -44.96 95.83 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 120.858 0.361 . . . . 25.0 110.626 177.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.57 -41.72 96.1 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.413 -0.358 . . . . 25.0 111.733 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.7 mt -62.06 -36.97 83.24 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.161 0.505 . . . . 25.0 110.119 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.22 -16.18 56.9 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.707 -0.678 . . . . 25.0 112.519 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -106.14 102.54 40.46 Favored Pre-proline 0 C--N 1.328 -0.358 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -174.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -66.24 -27.44 48.43 Favored 'Trans proline' 0 CA--C 1.532 0.422 0 N-CA-C 115.621 1.354 . . . . 25.0 115.621 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 76.3 t60 -75.93 -42.88 47.49 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.818 0.818 . . . . 25.0 111.014 178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -72.59 -37.45 68.14 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.376 -0.829 . . . . 25.0 109.3 -174.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.79 -30.27 71.27 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 121.649 -0.657 . . . . 25.0 110.809 176.397 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.7 m -74.75 -40.11 61.44 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.111 -0.495 . . . . 25.0 111.63 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.15 -33.81 76.22 Favored 'General case' 0 CA--C 1.479 -1.765 0 CA-C-O 122.01 0.909 . . . . 25.0 108.845 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 27.6 tp -63.87 -47.4 80.83 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 114.828 -1.078 . . . . 25.0 111.495 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -69.85 -26.19 64.09 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 112.843 0.682 . . . . 25.0 112.843 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -71.14 -51.69 23.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.267 0.556 . . . . 25.0 110.277 176.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -101.01 -24.07 14.39 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 117.097 2.258 . . . . 25.0 117.097 -169.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 33.5 t-20 -132.55 68.72 79.59 Favored Pre-proline 0 N--CA 1.477 0.884 0 N-CA-C 112.813 0.671 . . . . 25.0 112.813 177.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -54.54 -36.89 90.07 Favored 'Trans proline' 0 CA--C 1.551 1.331 0 N-CA-C 118.361 2.408 . . . . 25.0 118.361 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_endo -69.56 -30.96 22.38 Favored 'Trans proline' 0 C--N 1.359 1.13 1 C-N-CA 112.407 -4.595 . . . . 25.0 115.733 178.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 tp -75.41 -31.21 60.33 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.801 -1.187 . . . . 25.0 108.354 175.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.28 -49.42 69.61 Favored 'General case' 0 C--O 1.212 -0.919 0 CA-C-N 115.799 -0.637 . . . . 25.0 112.614 178.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.07 -32.39 69.73 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.678 0.672 . . . . 25.0 110.854 -176.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.489 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -60.05 -46.37 89.77 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 115.816 -0.629 . . . . 25.0 112.636 173.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -65.94 -40.03 91.0 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.526 -0.761 . . . . 25.0 110.063 179.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -63.93 -33.68 76.25 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.268 0.556 . . . . 25.0 110.383 -176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.44 -24.92 61.28 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 115.51 -0.768 . . . . 25.0 111.266 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.18 -15.1 46.46 Favored Glycine 0 C--O 1.235 0.187 0 CA-C-N 116.331 -0.395 . . . . 25.0 112.135 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 50.1 t0 -65.22 114.03 4.41 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.701 0.286 . . . . 25.0 110.827 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.73 -36.56 83.93 Favored 'General case' 0 C--O 1.21 -1.025 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.8 mm-40 -59.66 -52.06 67.11 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 121.908 -0.495 . . . . 25.0 110.808 -176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.489 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.8 -39.7 94.01 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-O 117.791 -1.1 . . . . 25.0 108.632 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.4 -50.67 73.06 Favored 'General case' 0 C--O 1.208 -1.116 0 CA-C-N 119.124 0.874 . . . . 25.0 112.719 176.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.1 t -64.61 -38.42 90.94 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 118.624 0.647 . . . . 25.0 112.165 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -67.43 -45.09 77.07 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.57 -0.529 . . . . 25.0 109.57 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.2 p -71.51 -34.16 52.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 108.331 -0.989 . . . . 25.0 108.331 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.674 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.2 tp -56.87 -46.86 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.899 -0.5 . . . . 25.0 111.223 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.64 -35.06 54.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.328 -0.549 . . . . 25.0 110.972 -178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.5 -45.01 95.34 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 121.323 0.582 . . . . 25.0 109.779 174.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -64.75 -39.16 93.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.113 -0.494 . . . . 25.0 110.596 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -63.0 -41.81 99.67 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.697 -0.401 . . . . 25.0 110.491 177.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -64.07 -44.85 91.15 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 117.781 0.264 . . . . 25.0 111.387 179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 40.0 t0 -70.75 -34.38 71.79 Favored 'General case' 0 C--O 1.239 0.515 0 CA-C-O 121.804 0.811 . . . . 25.0 111.042 -178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.9 mtp85 -65.2 -44.03 89.67 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 109.184 -0.673 . . . . 25.0 109.184 175.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.92 -36.48 65.27 Favored 'General case' 0 C--O 1.208 -1.083 0 O-C-N 122.908 0.13 . . . . 25.0 110.908 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.0 mtm180 -56.8 -49.11 76.33 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.948 0.721 . . . . 25.0 112.948 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -81.1 -29.16 34.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.901 0.858 . . . . 25.0 111.665 -179.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.33 -34.18 70.31 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.48 -0.782 . . . . 25.0 110.24 -178.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -58.16 -36.91 73.7 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 121.96 0.104 . . . . 25.0 110.872 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -63.99 -40.33 96.12 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.413 0.625 . . . . 25.0 110.308 178.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -71.14 -44.49 65.45 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.888 0.699 . . . . 25.0 112.888 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 10.2 pt -75.3 -18.46 15.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 CA-C-N 115.91 -0.586 . . . . 25.0 112.303 -176.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -10.56 0.85 Allowed 'General case' 0 CA--C 1.55 0.968 0 N-CA-C 114.933 1.457 . . . . 25.0 114.933 178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 79' ' ' PHE . 52.1 tp -101.68 130.59 48.07 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 107.936 -1.135 . . . . 25.0 107.936 174.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.467 ' CD1' ' HG ' ' A' ' 78' ' ' LEU . 47.7 m-85 54.46 -178.95 0.03 OUTLIER 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.213 1.805 . . . . 25.0 114.66 -173.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.2 t 63.68 103.69 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.287 1.035 . . . . 25.0 113.336 -178.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -142.38 20.16 2.06 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.379 -0.601 . . . . 25.0 109.379 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -110.07 97.18 28.73 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.046 -0.979 . . . . 25.0 113.371 -165.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -83.26 161.0 15.24 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 117.601 -1.133 . . . . 25.0 111.846 176.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -135.12 11.19 3.57 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 121.675 0.75 . . . . 25.0 111.717 178.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -146.14 98.82 3.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.336 -1.727 . . . . 25.0 106.336 -178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.1 mt -75.49 -37.85 59.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.306 -0.406 . . . . 25.0 110.819 -176.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -80.77 -31.59 35.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.452 0.644 . . . . 25.0 110.298 -177.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 53.84 20.94 2.52 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.513 1.671 . . . . 25.0 115.513 178.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -81.79 143.88 31.47 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.727 -0.472 . . . . 25.0 109.727 177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -159.89 161.6 34.39 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.427 -0.953 . . . . 25.0 108.427 179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt 62.36 172.6 0.14 Allowed 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.935 1.294 . . . . 25.0 113.654 177.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 58.8 mt 65.02 93.37 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-O 123.301 1.524 . . . . 25.0 111.5 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -124.23 149.93 45.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 113.303 -1.771 . . . . 25.0 108.372 -176.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -89.09 127.2 35.7 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 114.182 1.178 . . . . 25.0 114.182 -175.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -132.78 95.12 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 166.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mt -111.92 26.93 2.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 107.409 -1.33 . . . . 25.0 107.409 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -82.85 57.85 4.04 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 122.041 0.924 . . . . 25.0 110.982 -177.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 . . . . . 0 N--CA 1.482 1.155 0 C-N-CA 126.457 1.903 . . . . 25.0 113.918 177.73 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.9 t . . . . . 0 N--CA 1.495 1.808 0 CA-C-O 124.399 2.047 . . . . 25.0 112.821 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -82.11 113.78 20.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 113.532 -1.667 . . . . 25.0 109.691 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -134.96 167.96 19.97 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -147.06 178.57 8.26 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.382 -0.97 . . . . 25.0 108.382 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -134.22 151.45 51.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 105.989 -1.856 . . . . 25.0 105.989 178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -64.27 119.58 10.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.394 -0.225 . . . . 25.0 110.394 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 38.5 t -154.36 66.01 5.15 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 109.501 -0.555 . . . . 25.0 109.501 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -73.88 151.71 45.87 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 116.739 -1.707 . . . . 25.0 112.591 -176.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 140.17 24.07 0.28 Allowed Glycine 0 C--N 1.317 -0.477 0 CA-C-N 114.289 -1.323 . . . . 25.0 113.522 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -83.05 -1.34 52.47 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 123.512 1.625 . . . . 25.0 110.559 176.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 31.3 mm -84.73 66.2 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.421 -1.921 0 CA-C-N 111.583 -2.553 . . . . 25.0 106.741 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.9 p -66.31 129.34 39.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.183 -0.917 . . . . 25.0 112.336 -173.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 30.0 t -77.13 -8.0 56.76 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.9 m 44.37 60.7 11.99 Favored Pre-proline 0 N--CA 1.472 0.626 0 N-CA-C 115.377 1.621 . . . . 25.0 115.377 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -67.33 -31.63 34.62 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 115.943 -2.238 . . . . 25.0 114.088 -178.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -75.14 -14.02 60.52 Favored 'General case' 0 C--O 1.215 -0.726 0 O-C-N 121.79 -0.569 . . . . 25.0 110.073 176.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.01 -16.99 80.29 Favored Glycine 0 C--O 1.224 -0.487 0 N-CA-C 110.61 -0.996 . . . . 25.0 110.61 177.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 72.5 mt -75.32 -33.69 61.17 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.036 -0.727 . . . . 25.0 109.036 176.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.42 -30.51 37.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 122.417 1.103 . . . . 25.0 108.883 178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.9 m120 -119.65 81.88 25.45 Favored Pre-proline 0 C--O 1.241 0.645 0 CA-C-N 115.106 -0.952 . . . . 25.0 112.276 179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.687 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.1 Cg_endo -59.55 -31.03 93.85 Favored 'Trans proline' 0 C--N 1.346 0.447 0 O-C-N 121.654 0.292 . . . . 25.0 112.801 175.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.71 -41.7 97.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 122.302 -0.249 . . . . 25.0 111.575 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -77.93 -36.8 48.95 Favored 'General case' 0 C--O 1.221 -0.403 0 O-C-N 123.24 0.338 . . . . 25.0 110.456 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.06 -41.43 90.81 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.571 -0.451 . . . . 25.0 110.07 179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.1 tmm_? -56.53 -43.42 79.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 175.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -66.24 -44.26 84.23 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.975 0.417 . . . . 25.0 111.597 -178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.3 tmm? -60.32 -48.71 80.58 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.305 0.574 . . . . 25.0 110.618 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.3 mt -61.75 -40.94 96.89 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.565 -0.743 . . . . 25.0 112.471 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 54.7 mt -63.69 -35.75 81.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.058 0.456 . . . . 25.0 110.267 178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.56 -11.39 59.17 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.67 0.618 . . . . 25.0 112.67 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.6 t-20 -115.92 100.33 53.43 Favored Pre-proline 0 C--O 1.235 0.31 0 N-CA-C 113.15 0.796 . . . . 25.0 113.15 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -65.79 -25.62 53.22 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 N-CA-C 115.471 1.296 . . . . 25.0 115.471 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 66.9 t60 -76.19 -44.49 37.69 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.953 0.882 . . . . 25.0 110.685 179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.98 -35.19 69.43 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.318 -0.856 . . . . 25.0 110.258 -174.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -28.68 67.16 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.012 0.434 . . . . 25.0 110.11 176.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.9 t -74.7 -42.11 58.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.318 -0.401 . . . . 25.0 111.275 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.17 -31.17 71.4 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-O 121.942 0.877 . . . . 25.0 109.128 176.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.0 tp -66.39 -43.71 85.08 Favored 'General case' 0 N--CA 1.431 -1.415 0 CA-C-N 115.192 -0.913 . . . . 25.0 111.928 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -69.63 -26.24 64.32 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 119.961 -0.696 . . . . 25.0 111.999 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.16 -54.12 10.66 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.5 0.667 . . . . 25.0 110.878 174.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -89.56 -26.37 20.88 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.88 1.437 . . . . 25.0 114.88 -168.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -138.08 68.08 48.59 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 113.188 0.81 . . . . 25.0 113.188 179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -55.19 -35.92 92.07 Favored 'Trans proline' 0 CA--C 1.552 1.422 0 N-CA-C 117.982 2.262 . . . . 25.0 117.982 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.83 -29.11 29.11 Favored 'Trans proline' 0 C--N 1.363 1.309 1 C-N-CA 112.507 -4.529 . . . . 25.0 115.866 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.3 tp -75.34 -33.39 61.1 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 120.729 -1.232 . . . . 25.0 108.582 174.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.24 -48.54 75.41 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 115.818 -0.628 . . . . 25.0 112.473 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -59.18 -31.51 69.08 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 118.728 0.695 . . . . 25.0 111.206 -177.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.16 -43.45 98.8 Favored 'General case' 0 N--CA 1.432 -1.34 0 CA-C-O 120.958 0.409 . . . . 25.0 111.837 175.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.6 tp -65.9 -40.44 91.52 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.741 -0.663 . . . . 25.0 109.812 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.19 -30.83 71.87 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.154 0.502 . . . . 25.0 110.929 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.5 m -74.15 -24.74 59.46 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.669 . . . . 25.0 111.559 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 86.35 -13.64 57.13 Favored Glycine 0 C--O 1.235 0.167 0 CA-C-N 116.504 -0.316 . . . . 25.0 112.499 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.6 t0 -70.72 111.54 6.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.917 0.389 . . . . 25.0 110.984 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.01 -36.63 84.2 Favored 'General case' 0 C--O 1.21 -0.993 0 N-CA-C 109.332 -0.618 . . . . 25.0 109.332 176.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -59.96 -51.6 68.99 Favored 'General case' 0 C--N 1.321 -0.633 0 O-C-N 121.855 -0.528 . . . . 25.0 110.791 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.4 ptmt -65.04 -35.98 82.89 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 120.245 -0.582 . . . . 25.0 109.605 179.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -62.3 -51.35 68.04 Favored 'General case' 0 C--O 1.212 -0.892 0 CA-C-N 118.429 0.559 . . . . 25.0 112.334 175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.8 t -63.11 -39.98 96.27 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.39 0.614 . . . . 25.0 110.736 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 12.6 ttt85 -66.05 -51.56 57.02 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.185 -0.461 . . . . 25.0 110.244 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.26 -29.54 46.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 108.076 -1.083 . . . . 25.0 108.076 -176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.687 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.5 tp -61.16 -47.59 85.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 122.301 -0.249 . . . . 25.0 111.023 176.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.8 p -72.7 -33.94 45.86 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 C-N-CA 120.163 -0.615 . . . . 25.0 110.766 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -62.54 -42.17 99.36 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.235 -0.654 . . . . 25.0 109.235 176.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 66.3 mm-40 -64.75 -40.32 95.09 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.205 -0.31 . . . . 25.0 110.477 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -65.87 -36.85 84.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 121.894 -0.504 . . . . 25.0 111.243 179.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -64.68 -44.73 89.38 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 118.206 0.457 . . . . 25.0 110.252 177.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.7 -42.36 99.6 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 121.643 0.735 . . . . 25.0 110.465 178.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 74.3 mtp180 -61.9 -45.13 95.07 Favored 'General case' 0 C--O 1.218 -0.603 0 N-CA-C 109.511 -0.551 . . . . 25.0 109.511 177.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -58.41 -33.66 69.9 Favored 'General case' 0 C--O 1.214 -0.796 0 CA-C-O 119.766 -0.159 . . . . 25.0 111.349 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.0 mtp85 -56.59 -48.83 76.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 121.821 -0.549 . . . . 25.0 111.662 -178.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.1 ptt-85 -83.15 -35.5 25.49 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 177.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -79.43 -27.75 41.7 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 114.673 1.36 . . . . 25.0 114.673 -173.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -58.14 -35.82 72.08 Favored 'General case' 0 C--O 1.217 -0.618 0 CA-C-N 118.688 0.677 . . . . 25.0 109.475 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.85 -36.09 82.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.996 0.427 . . . . 25.0 111.275 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -71.34 -45.08 63.81 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.23 0.456 . . . . 25.0 112.23 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.3 pt -75.45 -18.36 15.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 112.032 0.382 . . . . 25.0 112.032 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -53.02 -15.89 0.92 Allowed 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 115.495 1.665 . . . . 25.0 115.495 -178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 54.3 tp -59.99 -30.5 69.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.287 0.565 . . . . 25.0 110.854 174.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -120.63 164.94 15.74 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.714 -0.676 . . . . 25.0 110.759 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.0 m -79.82 71.45 6.49 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.153 0.501 . . . . 25.0 110.774 175.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.16 45.44 1.28 Allowed 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.267 0.556 . . . . 25.0 109.587 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 -72.03 151.71 92.76 Favored Pre-proline 0 CA--C 1.543 0.688 0 CA-C-N 115.273 -0.876 . . . . 25.0 112.235 -174.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -77.42 171.37 17.76 Favored 'Trans proline' 0 C--N 1.351 0.689 0 N-CA-C 114.274 0.836 . . . . 25.0 114.274 -178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -110.9 16.87 21.02 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-N 115.801 -0.636 . . . . 25.0 110.253 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.2 t0 56.92 77.29 0.27 Allowed 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 122.52 1.152 . . . . 25.0 113.565 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -68.86 -28.82 67.05 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.628 -0.714 . . . . 25.0 112.326 -176.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -76.73 -23.47 53.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.61 0.719 . . . . 25.0 111.339 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.56 2.0 2.06 Favored 'General case' 0 CA--C 1.548 0.874 0 CA-C-N 114.241 -1.345 . . . . 25.0 113.942 176.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.6 148.13 43.38 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.777 0.798 . . . . 25.0 112.587 179.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.37 145.02 46.22 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 115.949 -0.569 . . . . 25.0 111.52 -178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -110.99 163.22 14.05 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.105 -1.072 . . . . 25.0 108.105 178.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.8 pp -137.54 162.3 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.971 0 N-CA-C 102.916 -2.994 . . . . 25.0 102.916 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 71.5 mm-40 -97.45 165.07 12.18 Favored 'General case' 0 C--N 1.309 -1.184 0 CA-C-N 115.827 -0.624 . . . . 25.0 111.421 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 52.7 mt-10 -65.34 143.62 57.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.757 -0.656 . . . . 25.0 111.389 -177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -72.29 54.56 0.31 Allowed 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 115.286 1.588 . . . . 25.0 115.286 -177.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.2 mt 48.45 48.15 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-O 121.989 0.9 . . . . 25.0 111.815 176.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 ptt85 -76.99 56.23 1.2 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 122.132 0.968 . . . . 25.0 112.744 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 . . . . . 0 C--O 1.209 -1.059 0 C-N-CA 127.165 2.186 . . . . 25.0 113.823 -179.471 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 124.336 2.017 . . . . 25.0 113.886 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -131.9 156.9 45.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 113.318 -1.765 . . . . 25.0 107.238 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 59.7 mm-40 -133.11 -78.45 0.49 Allowed 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 109.767 -0.457 . . . . 25.0 109.767 178.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 11.0 t -79.66 168.73 18.97 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 110.027 -0.36 . . . . 25.0 110.027 178.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -155.75 149.53 25.22 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.184 -1.043 . . . . 25.0 108.184 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 m -148.61 154.98 40.47 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 106.66 -1.608 . . . . 25.0 106.66 178.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.6 p -157.24 145.96 14.65 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 110.18 -0.304 . . . . 25.0 110.18 177.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.565 ' HD2' HD21 ' A' ' 31' ' ' ASN . 36.4 Cg_endo -84.02 -172.62 1.34 Allowed 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 120.59 0.86 . . . . 25.0 110.876 175.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.18 28.39 16.14 Favored Glycine 0 C--O 1.218 -0.892 0 N-CA-C 112.057 -0.417 . . . . 25.0 112.057 176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 12' ' ' THR . 42.5 mt-10 -85.19 22.97 1.34 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.847 0.832 . . . . 25.0 112.906 -175.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.41 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -74.97 32.3 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 0 C-N-CA 126.03 1.732 . . . . 25.0 111.187 172.732 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.421 ' H ' ' C ' ' A' ' 10' ' ' GLU . 63.3 p -117.08 -177.24 3.16 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.236 -0.893 . . . . 25.0 111.107 -175.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.9 m -66.4 162.27 20.8 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.992 -0.744 . . . . 25.0 108.992 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m 53.34 66.23 4.88 Favored Pre-proline 0 CA--C 1.544 0.736 0 N-CA-C 115.114 1.524 . . . . 25.0 115.114 178.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -72.22 -4.42 15.18 Favored 'Trans proline' 0 C--N 1.353 0.764 0 C-N-CA 122.06 1.84 . . . . 25.0 115.313 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 71.59 -37.99 0.41 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.147 1.779 . . . . 25.0 113.571 -179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.59 3.25 6.46 Favored Glycine 0 C--O 1.222 -0.606 0 CA-C-O 120.987 0.215 . . . . 25.0 113.199 173.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -63.78 -26.48 68.65 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 122.577 -0.366 . . . . 25.0 110.922 173.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -94.12 -25.54 17.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 122.23 1.014 . . . . 25.0 109.474 177.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.6 m120 -114.75 83.81 9.56 Favored Pre-proline 0 C--O 1.24 0.578 0 CA-C-N 115.205 -0.907 . . . . 25.0 112.656 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.505 ' HB3' HD22 ' A' ' 61' ' ' LEU . 27.6 Cg_endo -59.63 -31.41 94.31 Favored 'Trans proline' 0 C--O 1.215 -0.642 0 C-N-CA 118.489 -0.54 . . . . 25.0 113.035 176.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.9 99.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.189 -0.319 . . . . 25.0 111.569 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 68.7 mt -76.46 -39.13 54.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.506 -0.315 . . . . 25.0 110.229 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.8 tp -66.53 -40.02 88.92 Favored 'General case' 0 C--O 1.219 -0.546 0 C-N-CA 120.616 -0.434 . . . . 25.0 110.602 -178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 tmm_? -56.81 -45.36 82.32 Favored 'General case' 0 C--O 1.218 -0.554 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -66.28 -44.33 83.88 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.894 0.378 . . . . 25.0 111.68 -177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 16.5 tmm? -60.1 -49.85 76.03 Favored 'General case' 0 CA--C 1.512 -0.495 0 CA-C-O 121.43 0.633 . . . . 25.0 110.05 178.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.39 -41.9 94.79 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.248 -0.887 . . . . 25.0 112.319 -177.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 53.5 mt -63.99 -35.75 81.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.99 0.424 . . . . 25.0 110.617 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.82 -13.04 60.03 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.795 179.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.565 HD21 ' HD2' ' A' ' 8' ' ' PRO . 35.3 t-20 -110.56 98.26 36.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 112.68 0.622 . . . . 25.0 112.68 -174.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -65.51 -28.36 53.65 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 N-CA-C 115.59 1.342 . . . . 25.0 115.59 -175.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -76.11 -42.39 47.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 121.553 -0.717 . . . . 25.0 110.946 179.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -72.04 -37.26 69.74 Favored 'General case' 0 C--O 1.213 -0.831 0 N-CA-C 109.143 -0.688 . . . . 25.0 109.143 -175.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.99 -30.33 70.86 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 121.614 -0.679 . . . . 25.0 110.603 177.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -76.84 -41.52 43.8 Favored 'General case' 0 C--O 1.219 -0.539 0 N-CA-C 112.421 0.526 . . . . 25.0 112.421 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.6 -31.01 70.76 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 122.439 1.114 . . . . 25.0 108.888 176.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -66.01 -42.63 89.46 Favored 'General case' 0 N--CA 1.43 -1.453 0 CA-C-N 115.241 -0.891 . . . . 25.0 112.981 179.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.22 -29.79 68.7 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 120.086 -0.646 . . . . 25.0 111.739 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.21 -53.36 12.84 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.578 0.704 . . . . 25.0 110.889 177.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -81.85 -36.01 28.72 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -175.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -134.88 68.78 71.31 Favored Pre-proline 0 C--O 1.242 0.671 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 -174.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -53.87 -35.64 80.4 Favored 'Trans proline' 0 CA--C 1.552 1.382 0 N-CA-C 118.757 2.56 . . . . 25.0 118.757 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -68.83 -31.53 24.86 Favored 'Trans proline' 0 C--N 1.36 1.178 1 C-N-CA 112.785 -4.343 . . . . 25.0 115.663 178.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -75.57 -33.62 60.63 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 120.937 -1.102 . . . . 25.0 108.381 175.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.11 -48.03 75.08 Favored 'General case' 0 C--O 1.21 -1.001 0 N-CA-C 112.84 0.682 . . . . 25.0 112.84 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -59.6 -31.42 69.46 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.038 0.835 . . . . 25.0 110.463 -176.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.431 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.9 -44.71 96.24 Favored 'General case' 0 N--CA 1.431 -1.393 0 CA-C-N 115.907 -0.588 . . . . 25.0 111.525 175.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.9 tp -66.07 -41.43 90.77 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.675 -0.693 . . . . 25.0 110.492 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.27 -29.29 70.65 Favored 'General case' 0 N--CA 1.47 0.525 0 CA-C-O 121.272 0.558 . . . . 25.0 110.786 -175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.8 m -76.49 -23.2 53.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.709 -0.678 . . . . 25.0 111.923 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 87.16 -21.3 21.28 Favored Glycine 0 C--O 1.236 0.245 0 CA-C-N 116.597 -0.274 . . . . 25.0 112.781 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -61.19 117.62 5.79 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.183 0.516 . . . . 25.0 111.857 -179.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -67.43 -37.63 83.31 Favored 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 109.565 -0.532 . . . . 25.0 109.565 176.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -60.39 -51.1 70.92 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.628 -0.429 . . . . 25.0 110.498 -175.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 11.7 ptmt -65.17 -37.66 88.07 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 118.456 -0.783 . . . . 25.0 109.708 179.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -62.13 -51.27 68.55 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-N 118.731 0.696 . . . . 25.0 112.301 177.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 35.0 t -60.73 -39.53 89.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.258 0.552 . . . . 25.0 111.531 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -49.77 69.21 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 109.48 -0.563 . . . . 25.0 109.48 -177.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 10.2 p -70.93 -29.53 37.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.061 -0.718 . . . . 25.0 109.061 -177.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.505 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.0 tp -59.65 -45.5 91.82 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 121.85 -0.531 . . . . 25.0 110.903 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.4 p -76.05 -34.5 26.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.56 -0.456 . . . . 25.0 110.543 179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.08 -38.74 89.96 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.673 -0.642 . . . . 25.0 110.475 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -64.12 -31.35 72.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.196 -0.315 . . . . 25.0 111.126 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -77.83 -35.65 50.98 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 120.71 -0.396 . . . . 25.0 110.231 178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -67.86 -36.89 81.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 122.179 -0.326 . . . . 25.0 110.438 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -59.28 -39.91 84.43 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.346 0.594 . . . . 25.0 111.208 178.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 56.7 mtt-85 -62.12 -32.86 73.49 Favored 'General case' 0 C--O 1.215 -0.763 0 CA-C-N 115.965 -0.561 . . . . 25.0 110.59 178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -73.14 -41.57 63.81 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 121.957 -0.465 . . . . 25.0 110.197 175.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 76.1 mtp180 -66.36 -46.17 77.66 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.76 1.022 . . . . 25.0 113.76 -177.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -64.75 -26.49 68.38 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.743 0.783 . . . . 25.0 110.547 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -76.58 -33.77 58.46 Favored 'General case' 0 C--N 1.315 -0.908 0 C-N-CA 119.359 -0.937 . . . . 25.0 111.037 177.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -59.99 -38.74 83.47 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 122.008 -0.433 . . . . 25.0 111.669 177.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -74.54 -32.28 62.4 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.789 -0.569 . . . . 25.0 111.168 178.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.8 mtp180 -67.2 -42.78 83.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 121.665 -0.647 . . . . 25.0 111.417 177.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 32.8 pt -76.63 -20.25 14.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 112.655 0.613 . . . . 25.0 112.655 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.9 ptp85 -80.2 -29.54 38.63 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 119.817 -0.753 . . . . 25.0 109.456 177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.3 tt 63.1 -52.98 0.19 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.47 1.908 . . . . 25.0 115.072 -178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.25 113.15 11.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 121.419 -0.8 . . . . 25.0 110.075 177.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 26.9 m -140.8 142.78 34.63 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 104.902 -2.259 . . . . 25.0 104.902 175.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -115.77 15.51 16.4 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 107.614 -1.254 . . . . 25.0 107.614 179.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -117.91 151.33 48.67 Favored Pre-proline 0 C--N 1.317 -0.833 0 CA-C-N 113.495 -1.684 . . . . 25.0 107.525 -174.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -74.35 159.71 43.08 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 116.751 -1.7 . . . . 25.0 110.782 176.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -102.08 6.97 41.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 122.015 0.912 . . . . 25.0 111.549 -178.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -160.75 105.88 1.42 Allowed 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 114.503 -1.226 . . . . 25.0 108.314 -179.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 pp -76.52 -34.56 58.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.57 -39.6 18.56 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 120.854 0.359 . . . . 25.0 111.82 -177.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.15 36.89 16.81 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.517 1.127 . . . . 25.0 113.823 177.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -88.66 151.71 22.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.522 0.677 . . . . 25.0 111.764 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.32 169.36 13.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.748 -0.66 . . . . 25.0 110.939 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -130.16 170.53 13.93 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.987 -1.857 . . . . 25.0 105.987 175.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 84.9 mt -132.5 123.8 50.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 105.031 -2.211 . . . . 25.0 105.031 178.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -90.54 159.1 16.66 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.648 0.593 . . . . 25.0 111.486 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -141.56 157.98 44.42 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 122.528 0.331 . . . . 25.0 110.84 179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -129.49 71.45 1.44 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 122.4 1.095 . . . . 25.0 108.161 168.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 pt -90.54 36.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.197 -0.91 . . . . 25.0 110.058 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -83.15 61.99 6.38 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 122.598 1.189 . . . . 25.0 111.326 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 N--CA 1.482 1.135 0 C-N-CA 126.395 1.878 . . . . 25.0 114.374 178.759 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 122.244 1.021 . . . . 25.0 113.649 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.67 29.83 7.62 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 176.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 16.6 mp0 58.45 23.7 10.97 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 115.131 -0.94 . . . . 25.0 112.236 175.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.9 t -72.79 152.93 41.33 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.575 -0.738 . . . . 25.0 109.644 178.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -60.65 -23.31 64.69 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.495 0.664 . . . . 25.0 110.823 177.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.0 m -131.61 115.69 16.41 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 106.621 -1.622 . . . . 25.0 106.621 172.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.2 t -120.87 96.68 48.62 Favored Pre-proline 0 C--N 1.325 -0.477 0 N-CA-C 112.092 0.404 . . . . 25.0 112.092 -175.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -72.69 175.29 10.45 Favored 'Trans proline' 0 C--N 1.345 0.394 0 N-CA-C 110.452 -0.634 . . . . 25.0 110.452 173.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.409 ' C ' ' H ' ' A' ' 11' ' ' ILE . . . 116.53 28.08 2.65 Favored Glycine 0 C--N 1.324 -0.129 0 N-CA-C 110.242 -1.143 . . . . 25.0 110.242 -177.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -71.23 27.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 125.144 1.378 . . . . 25.0 114.36 -178.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.409 ' H ' ' C ' ' A' ' 9' ' ' GLY . 50.0 mt -84.03 -13.44 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-O 123.895 1.807 . . . . 25.0 107.026 178.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.8 t -146.9 160.8 41.87 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 112.065 -2.334 . . . . 25.0 107.616 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.9 m -101.26 134.63 44.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.709 -0.223 . . . . 25.0 110.667 -178.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.8 p 40.32 65.18 4.14 Favored Pre-proline 0 N--CA 1.476 0.831 0 N-CA-C 115.375 1.621 . . . . 25.0 115.375 176.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -64.46 -41.22 21.03 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 116.371 -1.953 . . . . 25.0 114.174 -178.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -72.98 -15.03 61.55 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 121.612 -0.68 . . . . 25.0 110.522 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.93 -20.32 79.86 Favored Glycine 0 C--O 1.227 -0.294 0 C-N-CA 120.941 -0.647 . . . . 25.0 111.927 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.7 mt -67.57 -42.05 83.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.149 0.5 . . . . 25.0 110.399 178.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -83.66 -28.25 28.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.918 0.866 . . . . 25.0 109.997 -179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -114.89 83.77 9.76 Favored Pre-proline 0 C--O 1.241 0.655 0 N-CA-C 113.231 0.826 . . . . 25.0 113.231 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.529 ' HB3' HD22 ' A' ' 61' ' ' LEU . 34.0 Cg_endo -62.09 -30.36 82.43 Favored 'Trans proline' 0 C--O 1.214 -0.716 0 C-N-CA 117.798 -1.002 . . . . 25.0 111.505 172.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.0 99.34 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 111.909 0.337 . . . . 25.0 111.909 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.9 mt -78.0 -34.44 50.78 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.059 -0.349 . . . . 25.0 110.059 -178.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 24.5 tp -68.53 -41.72 79.5 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.563 -0.455 . . . . 25.0 110.335 179.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -56.24 -44.46 79.65 Favored 'General case' 0 C--O 1.219 -0.516 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 175.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -63.63 -45.91 88.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.962 0.41 . . . . 25.0 111.772 -179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.1 tmm? -60.44 -49.57 77.03 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.267 0.556 . . . . 25.0 110.682 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.4 mt -60.78 -43.32 98.23 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.511 -0.768 . . . . 25.0 111.985 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 mt -63.9 -35.62 81.26 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.954 0.406 . . . . 25.0 110.693 179.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -79.12 -11.81 59.99 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.104 -0.498 . . . . 25.0 112.31 179.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -115.93 100.16 53.26 Favored Pre-proline 0 C--N 1.328 -0.333 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 -174.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -65.18 -25.59 57.72 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.44 1.285 . . . . 25.0 115.44 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -76.56 -42.2 43.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.441 0.639 . . . . 25.0 110.97 178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -73.26 -38.31 66.0 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.453 0.644 . . . . 25.0 109.424 -175.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.86 -29.42 70.37 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 121.762 -0.586 . . . . 25.0 110.097 176.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 t -74.68 -41.43 60.27 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 122.822 0.449 . . . . 25.0 111.623 179.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 pp -67.94 -31.17 70.73 Favored 'General case' 0 CA--C 1.485 -1.53 0 CA-C-O 122.016 0.912 . . . . 25.0 108.936 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.33 -44.52 83.12 Favored 'General case' 0 N--CA 1.431 -1.379 0 CA-C-N 115.063 -0.971 . . . . 25.0 111.936 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -70.45 -26.17 63.52 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 120.133 -0.627 . . . . 25.0 112.35 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -70.31 -51.98 26.19 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.167 0.508 . . . . 25.0 110.409 175.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -93.75 -29.66 15.27 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 116.269 1.951 . . . . 25.0 116.269 -171.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -135.45 69.79 67.55 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 113.674 0.99 . . . . 25.0 113.674 -178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -54.27 -37.1 88.25 Favored 'Trans proline' 0 CA--C 1.55 1.319 0 N-CA-C 118.576 2.491 . . . . 25.0 118.576 -178.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -68.65 -30.34 28.28 Favored 'Trans proline' 0 C--N 1.361 1.233 1 C-N-CA 112.855 -4.297 . . . . 25.0 115.857 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.7 tp -75.61 -33.42 60.53 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 120.862 -1.149 . . . . 25.0 108.495 175.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.68 -49.33 71.34 Favored 'General case' 0 C--O 1.212 -0.894 0 CA-C-N 115.64 -0.709 . . . . 25.0 112.172 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.4 -31.44 70.38 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 118.587 0.631 . . . . 25.0 111.266 -175.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.404 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -61.25 -44.21 97.62 Favored 'General case' 0 N--CA 1.435 -1.194 0 CA-C-O 120.821 0.343 . . . . 25.0 111.229 174.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.8 tp -66.21 -40.78 90.58 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.059 -0.518 . . . . 25.0 110.647 177.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.54 -30.48 71.5 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 121.166 0.508 . . . . 25.0 110.785 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.449 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 49.7 m -74.76 -26.46 59.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.672 -0.694 . . . . 25.0 111.375 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.2 -21.89 39.76 Favored Glycine 0 C--O 1.229 -0.164 0 N-CA-C 113.891 0.316 . . . . 25.0 113.891 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -66.1 121.29 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.345 0.593 . . . . 25.0 111.02 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 19.6 tp -66.08 -40.22 90.67 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.448 -0.501 . . . . 25.0 110.225 175.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -65.96 -30.23 70.76 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.321 0.581 . . . . 25.0 110.282 -170.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' HD3' ' HB2' ' A' ' 51' ' ' SER . 16.7 ptmt -78.48 -35.78 46.08 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 119.817 -0.753 . . . . 25.0 109.018 176.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -63.95 -46.66 83.7 Favored 'General case' 0 C--O 1.213 -0.843 0 O-C-N 123.094 0.246 . . . . 25.0 110.473 177.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.2 t -65.18 -37.87 88.73 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 122.886 0.474 . . . . 25.0 111.64 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -64.6 -50.44 67.19 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.727 -0.472 . . . . 25.0 109.727 -178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 p -69.87 -29.7 41.56 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 108.803 -0.814 . . . . 25.0 108.803 -177.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.7 tp -61.18 -47.69 84.97 Favored 'General case' 0 C--N 1.33 -0.243 0 O-C-N 121.856 -0.528 . . . . 25.0 111.16 178.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 10.6 p -73.01 -34.8 46.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.475 -0.49 . . . . 25.0 110.297 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -62.93 -42.51 99.83 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.785 -0.572 . . . . 25.0 110.884 176.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 52.0 mm-40 -60.61 -41.46 94.82 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.99 -0.374 . . . . 25.0 109.99 177.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -67.58 -37.3 82.4 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.702 -0.399 . . . . 25.0 111.148 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.4 mt-30 -68.84 -38.29 79.72 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.152 0.427 . . . . 25.0 112.152 178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -67.2 -37.43 83.65 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.583 -0.698 . . . . 25.0 109.986 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -61.65 -49.92 74.6 Favored 'General case' 0 C--O 1.208 -1.093 0 N-CA-C 107.529 -1.285 . . . . 25.0 107.529 175.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.03 -39.03 71.35 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 122.12 -0.363 . . . . 25.0 111.756 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -67.03 -40.7 87.26 Favored 'General case' 0 C--O 1.221 -0.413 0 O-C-N 121.897 -0.502 . . . . 25.0 111.616 -178.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 -81.16 -30.2 34.48 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 112.427 0.529 . . . . 25.0 112.427 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -66.03 -31.87 73.02 Favored 'General case' 0 C--O 1.217 -0.613 0 N-CA-C 108.393 -0.965 . . . . 25.0 108.393 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -56.41 -35.55 67.93 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.011 0.434 . . . . 25.0 112.02 175.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -75.2 -36.39 61.41 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.429 0.633 . . . . 25.0 109.909 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -71.3 -39.41 71.48 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 113.685 0.995 . . . . 25.0 113.685 -178.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.1 pt -64.12 -18.79 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 CA-C-N 118.738 0.699 . . . . 25.0 111.676 -179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 81.3 mtt-85 -70.32 -9.92 57.51 Favored 'General case' 0 N--CA 1.468 0.425 0 N-CA-C 112.713 0.634 . . . . 25.0 112.713 175.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.0 tt -133.45 -46.7 0.82 Allowed 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 112.188 0.44 . . . . 25.0 112.188 -176.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -101.44 149.08 24.44 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 122.636 0.374 . . . . 25.0 111.135 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.8 p -74.69 100.81 4.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 175.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -145.19 36.73 1.12 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 106.303 -1.74 . . . . 25.0 106.303 179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -69.88 143.02 91.47 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 114.222 -1.353 . . . . 25.0 111.239 -177.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -79.43 160.71 25.66 Favored 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 118.508 -0.528 . . . . 25.0 112.804 -179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -116.11 19.11 15.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.419 0.628 . . . . 25.0 109.985 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -144.54 110.72 5.49 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 104.987 -2.227 . . . . 25.0 104.987 -178.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.8 mt -77.37 -35.01 54.91 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.459 -0.791 . . . . 25.0 113.086 -175.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -85.03 -39.47 17.99 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.965 -0.294 . . . . 25.0 111.152 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 62.84 5.34 1.74 Allowed 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 115.63 1.715 . . . . 25.0 115.63 174.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 49.33 -144.53 0.46 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.606 0.763 . . . . 25.0 112.992 174.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 53.15 94.27 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 115.799 1.777 . . . . 25.0 115.799 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 13.9 ptpt -94.79 168.25 10.93 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.37 -1.741 . . . . 25.0 111.095 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 87.2 mt -125.56 123.09 63.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 105.661 -1.977 . . . . 25.0 105.661 177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -101.61 161.93 13.28 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 177.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -118.61 161.7 19.61 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.643 0.259 . . . . 25.0 110.924 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 30.8 t0 50.03 38.11 15.78 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-O 122.316 1.055 . . . . 25.0 112.529 -177.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 pt -83.45 70.89 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.673 0 CA-C-O 122.969 1.366 . . . . 25.0 111.56 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 66.05 21.5 11.23 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 112.446 -2.161 . . . . 25.0 111.339 174.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 5.4 pp0? . . . . . 0 C--O 1.214 -0.8 0 CA-C-O 125.388 2.518 . . . . 25.0 112.747 179.3 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.26 0 CA-C-O 124.791 2.234 . . . . 25.0 113.365 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -66.33 -28.36 68.61 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 112.686 -2.052 . . . . 25.0 110.066 -177.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -95.8 6.22 49.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.668 -0.697 . . . . 25.0 111.217 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.0 t -137.31 25.19 2.95 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 -173.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -134.65 132.25 38.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.901 -0.5 . . . . 25.0 111.711 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -156.03 34.75 0.34 Allowed 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 107.574 -1.269 . . . . 25.0 107.574 176.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.0 m -143.88 75.47 15.95 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 114.728 1.381 . . . . 25.0 114.728 -171.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -73.88 168.29 25.15 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 118.482 -0.545 . . . . 25.0 110.72 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.44 43.25 0.1 OUTLIER Glycine 0 C--N 1.317 -0.48 0 C-N-CA 120.927 -0.654 . . . . 25.0 114.1 -178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.1 mp0 -84.92 22.77 1.31 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 122.545 1.164 . . . . 25.0 113.484 -173.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.436 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -77.98 11.1 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.414 -2.241 0 C-N-CA 125.573 1.549 . . . . 25.0 112.659 -179.625 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 47.2 p -80.33 -15.65 56.41 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.594 -1.184 . . . . 25.0 111.592 -179.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 p 65.21 171.52 0.21 Allowed 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.147 1.379 . . . . 25.0 111.468 -174.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.1 t -140.05 83.72 15.72 Favored Pre-proline 0 C--O 1.242 0.708 0 N-CA-C 113.216 0.821 . . . . 25.0 113.216 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -66.7 -8.64 21.81 Favored 'Trans proline' 0 C--N 1.351 0.667 0 C-N-CA 121.732 1.622 . . . . 25.0 113.254 178.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -65.64 -2.68 3.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 114.036 -1.438 . . . . 25.0 112.359 173.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.18 -2.76 47.33 Favored Glycine 0 C--O 1.223 -0.549 0 N-CA-C 114.449 0.54 . . . . 25.0 114.449 174.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.452 ' HA ' HD21 ' A' ' 61' ' ' LEU . 70.6 mt -77.52 -30.68 53.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 117.578 0.689 . . . . 25.0 109.241 178.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -78.99 -24.7 43.58 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.645 1.212 . . . . 25.0 108.548 177.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.9 m120 -124.16 75.26 59.56 Favored Pre-proline 0 N--CA 1.446 -0.661 0 CA-C-N 114.718 -1.128 . . . . 25.0 112.529 -177.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.731 ' HB3' HD22 ' A' ' 61' ' ' LEU . 30.4 Cg_endo -60.0 -29.88 90.33 Favored 'Trans proline' 0 C--O 1.212 -0.811 0 O-C-N 121.923 0.433 . . . . 25.0 112.232 175.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.7 93.02 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 122.297 -0.252 . . . . 25.0 110.654 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.9 mt -73.19 -38.42 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.027 0.441 . . . . 25.0 110.293 -177.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.0 tp -67.32 -39.9 85.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.974 -0.291 . . . . 25.0 110.67 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.5 ttp180 -59.18 -44.69 92.19 Favored 'General case' 0 C--O 1.215 -0.758 0 N-CA-C 108.159 -1.052 . . . . 25.0 108.159 176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.03 -44.82 91.38 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.751 -0.659 . . . . 25.0 112.067 -177.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.9 ttp -61.93 -44.23 97.2 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.845 0.355 . . . . 25.0 110.796 176.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.5 mt -65.0 -42.22 94.69 Favored 'General case' 0 C--O 1.217 -0.63 0 CA-C-N 116.587 -0.279 . . . . 25.0 111.712 -178.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.4 mt -62.2 -37.56 85.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.28 0.562 . . . . 25.0 110.15 179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.56 -16.0 57.93 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.751 . . . . 25.0 112.554 -179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 -110.12 103.6 54.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -173.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -66.46 -26.71 47.3 Favored 'Trans proline' 0 CA--C 1.533 0.459 0 N-CA-C 115.684 1.379 . . . . 25.0 115.684 -176.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -76.01 -42.46 47.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.961 0.886 . . . . 25.0 110.438 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.66 -36.07 65.32 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.276 -0.875 . . . . 25.0 110.004 -174.017 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.94 -30.3 70.4 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-O 121.132 0.492 . . . . 25.0 109.778 175.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.9 t -74.51 -41.79 60.04 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-N 116.13 -0.486 . . . . 25.0 110.444 -179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 pp -64.91 -33.73 76.71 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 121.369 -0.832 . . . . 25.0 108.915 177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.6 tp -65.28 -44.02 89.37 Favored 'General case' 0 N--CA 1.429 -1.481 0 CA-C-N 115.211 -0.904 . . . . 25.0 112.427 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -68.77 -29.19 67.52 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 120.3 -0.56 . . . . 25.0 111.93 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -74.79 -49.54 20.44 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.186 0.517 . . . . 25.0 111.278 177.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -89.98 -27.98 19.43 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 116.26 1.948 . . . . 25.0 116.26 -174.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.9 t-20 -138.06 70.29 48.99 Favored Pre-proline 0 N--CA 1.477 0.914 0 N-CA-C 113.719 1.007 . . . . 25.0 113.719 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -53.59 -37.8 83.47 Favored 'Trans proline' 0 CA--C 1.553 1.458 0 N-CA-C 119.079 2.684 . . . . 25.0 119.079 -177.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -69.19 -32.71 20.36 Favored 'Trans proline' 0 C--N 1.359 1.122 1 C-N-CA 112.728 -4.381 . . . . 25.0 115.454 178.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.1 tp -75.29 -30.31 60.36 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.981 -1.118 . . . . 25.0 107.981 176.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -64.74 -49.48 70.65 Favored 'General case' 0 C--O 1.205 -1.279 0 CA-C-O 118.601 -0.714 . . . . 25.0 112.645 179.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -31.74 72.18 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.201 0.909 . . . . 25.0 110.601 -175.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.542 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.38 -45.65 87.9 Favored 'General case' 0 N--CA 1.432 -1.345 0 CA-C-N 115.109 -0.951 . . . . 25.0 111.603 172.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.48 -43.75 80.21 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.504 -0.771 . . . . 25.0 110.658 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 16.9 mt -63.22 -32.36 73.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.236 0.541 . . . . 25.0 110.708 -173.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 55.8 m -70.18 -24.58 63.16 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.473 -0.785 . . . . 25.0 112.193 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.61 -15.48 46.32 Favored Glycine 0 CA--C 1.517 0.209 0 CA-C-N 116.397 -0.365 . . . . 25.0 112.695 -178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.442 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 44.7 t0 -65.62 116.09 6.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.737 0.303 . . . . 25.0 110.558 179.42 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -67.4 -36.54 81.49 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 109.528 -0.545 . . . . 25.0 109.528 176.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -59.36 -53.08 62.27 Favored 'General case' 0 C--N 1.317 -0.828 0 O-C-N 121.964 -0.46 . . . . 25.0 110.83 -176.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.542 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.8 ptmt -64.47 -36.99 85.99 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 177.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.534 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 73.2 t80 -61.35 -51.8 67.29 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 121.714 -0.616 . . . . 25.0 111.224 178.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.5 t -65.08 -38.51 90.98 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.677 0.621 . . . . 25.0 112.677 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.06 -46.69 89.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.461 -0.57 . . . . 25.0 109.461 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.2 t -72.77 -34.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 C-N-CA 120.121 -0.631 . . . . 25.0 109.38 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -57.79 -44.8 86.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 121.854 -0.529 . . . . 25.0 111.045 179.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.2 p -74.73 -36.42 40.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 C-N-CA 120.482 -0.487 . . . . 25.0 111.098 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -61.95 -42.19 98.84 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.517 -0.739 . . . . 25.0 111.251 176.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -61.32 -38.58 87.37 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.721 -0.474 . . . . 25.0 109.721 178.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -69.58 -37.47 76.98 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.585 0.217 . . . . 25.0 111.585 178.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 mt-30 -65.9 -43.23 88.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 122.021 -0.424 . . . . 25.0 110.62 177.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -69.24 -35.35 76.05 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.388 0.613 . . . . 25.0 110.248 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -57.35 -50.2 73.71 Favored 'General case' 0 CA--C 1.512 -0.511 0 N-CA-C 108.641 -0.874 . . . . 25.0 108.641 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.65 -40.19 91.1 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.339 -0.391 . . . . 25.0 111.432 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.6 ptt85 -68.36 -40.21 81.55 Favored 'General case' 0 C--O 1.219 -0.504 0 O-C-N 122.096 -0.377 . . . . 25.0 112.0 -176.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 ptp180 -79.82 -33.39 40.38 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.774 0.797 . . . . 25.0 112.064 -178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -72.63 -30.73 64.56 Favored 'General case' 0 C--N 1.315 -0.912 0 O-C-N 121.72 -0.612 . . . . 25.0 110.298 178.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -55.35 -34.58 64.38 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 111.853 0.316 . . . . 25.0 111.853 171.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -71.43 -34.56 70.41 Favored 'General case' 0 C--O 1.218 -0.562 0 CA-C-O 121.159 0.504 . . . . 25.0 109.962 178.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 63.8 mtp180 -69.49 -36.11 76.2 Favored 'General case' 0 C--O 1.205 -1.281 0 N-CA-C 113.503 0.927 . . . . 25.0 113.503 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.358 29.5 pt -68.4 -16.94 21.62 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.364 0.665 . . . . 25.0 112.368 -179.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -54.38 -20.69 7.83 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 121.798 -0.564 . . . . 25.0 110.886 173.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 23.5 tp 54.53 -130.5 2.09 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 107.984 -1.117 . . . . 25.0 107.984 -179.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -156.68 164.54 38.03 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 107.148 -1.427 . . . . 25.0 107.148 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.1 m 94.03 100.8 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 127.452 2.301 . . . . 25.0 109.258 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 63.14 19.75 11.86 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.553 1.141 . . . . 25.0 111.513 -176.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -73.47 144.64 84.05 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 114.636 -1.165 . . . . 25.0 108.458 175.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -78.65 154.95 27.34 Favored 'Trans proline' 0 N--CA 1.464 -0.264 0 C-N-CA 117.523 -1.185 . . . . 25.0 111.593 179.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -113.8 30.71 7.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.263 0.838 . . . . 25.0 113.263 -172.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -79.2 43.73 0.54 Allowed 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 121.674 0.749 . . . . 25.0 110.041 175.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 76.8 mt -68.74 -22.87 64.29 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -70.12 -23.62 63.06 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.793 -0.64 . . . . 25.0 111.418 176.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -81.16 -1.01 42.85 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.987 0.736 . . . . 25.0 112.987 -176.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -65.96 139.63 58.25 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.828 0.823 . . . . 25.0 111.102 -177.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.37 140.01 57.2 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 116.006 -0.543 . . . . 25.0 109.627 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.03 144.44 51.46 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 116.172 -0.467 . . . . 25.0 109.751 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.5 mt -142.45 119.62 6.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 102.781 -3.044 . . . . 25.0 102.781 174.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -142.33 149.84 39.98 Favored 'General case' 0 N--CA 1.439 -1.021 0 N-CA-C 107.105 -1.443 . . . . 25.0 107.105 -177.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -141.02 148.48 40.33 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 -176.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -147.99 102.64 3.41 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.516 -0.92 . . . . 25.0 108.516 173.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.3 pt -112.05 22.76 5.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.042 -0.981 . . . . 25.0 109.794 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 ttt85 -82.55 61.46 5.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 122.312 1.053 . . . . 25.0 111.853 -176.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 . . . . . 0 N--CA 1.483 1.197 0 C-N-CA 125.667 1.587 . . . . 25.0 114.428 178.079 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.207 -1.182 0 CA-C-O 123.526 1.631 . . . . 25.0 114.653 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -73.12 -16.53 61.45 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.205 -0.907 . . . . 25.0 110.827 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -137.9 153.47 49.53 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.123 -1.065 . . . . 25.0 108.123 177.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 18.1 t -147.19 -54.86 0.23 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.059 -0.719 . . . . 25.0 109.059 177.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.9 m80 68.73 159.62 0.17 Allowed 'General case' 0 N--CA 1.477 0.919 0 O-C-N 125.165 1.541 . . . . 25.0 108.225 -176.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 t -149.16 149.89 31.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 118.238 0.472 . . . . 25.0 111.744 -174.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 75.2 m -157.14 83.65 3.02 Favored Pre-proline 0 C--N 1.325 -0.468 0 C-N-CA 123.238 0.615 . . . . 25.0 110.083 178.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 68.6 Cg_endo -76.67 173.78 13.92 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 120.164 0.576 . . . . 25.0 112.355 179.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 103.23 35.73 3.56 Favored Glycine 0 C--O 1.229 -0.199 0 CA-C-N 116.059 -0.519 . . . . 25.0 113.031 175.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -72.96 36.61 0.08 Allowed 'General case' 0 N--CA 1.476 0.83 0 N-CA-C 113.72 1.007 . . . . 25.0 113.72 -179.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -76.99 -9.99 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.647 0 CA-C-O 123.54 1.638 . . . . 25.0 110.431 -175.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 p -64.84 -25.88 68.09 Favored 'General case' 0 C--N 1.309 -1.172 0 CA-C-N 111.993 -2.367 . . . . 25.0 110.175 175.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m 51.42 -144.8 0.55 Allowed 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.206 177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.6 t 37.79 65.46 2.72 Favored Pre-proline 0 N--CA 1.476 0.827 0 N-CA-C 116.264 1.95 . . . . 25.0 116.264 177.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -71.58 -7.1 20.54 Favored 'Trans proline' 0 C--N 1.348 0.546 0 CA-C-O 121.554 0.564 . . . . 25.0 113.407 176.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 71.76 -43.78 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 126.578 1.951 . . . . 25.0 112.68 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.84 18.35 9.35 Favored Glycine 0 C--O 1.22 -0.767 0 C-N-CA 121.599 -0.334 . . . . 25.0 113.27 175.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 pp -59.2 -32.46 69.95 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 117.651 0.726 . . . . 25.0 111.454 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -90.02 -25.71 20.69 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 122.161 0.981 . . . . 25.0 110.012 177.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -113.49 85.72 9.3 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.247 -0.888 . . . . 25.0 112.699 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.509 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.9 Cg_endo -59.51 -30.98 93.85 Favored 'Trans proline' 0 C--O 1.217 -0.557 0 C-N-CA 118.367 -0.622 . . . . 25.0 113.114 176.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.04 -45.87 91.68 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 122.151 -0.343 . . . . 25.0 110.832 179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.4 mt -73.8 -37.66 64.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.416 -0.356 . . . . 25.0 110.094 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.72 -41.33 88.09 Favored 'General case' 0 C--O 1.218 -0.566 0 C-N-CA 120.83 -0.348 . . . . 25.0 110.435 -179.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -58.57 -46.22 87.38 Favored 'General case' 0 C--O 1.216 -0.699 0 N-CA-C 108.564 -0.902 . . . . 25.0 108.564 177.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -44.34 93.96 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.935 -0.575 . . . . 25.0 111.94 -177.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.2 ttp -62.98 -43.72 98.01 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-O 120.69 0.281 . . . . 25.0 110.832 177.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -63.96 -40.25 96.0 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.9 mt -62.29 -35.62 79.58 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 121.18 0.514 . . . . 25.0 109.868 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.03 -9.85 58.32 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -113.43 101.73 53.96 Favored Pre-proline 0 C--N 1.328 -0.341 0 N-CA-C 112.75 0.648 . . . . 25.0 112.75 -173.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -66.44 -24.94 48.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 N-CA-C 115.412 1.274 . . . . 25.0 115.412 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -76.11 -42.41 47.2 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.925 0.869 . . . . 25.0 110.97 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -75.05 -37.35 61.69 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.205 -0.907 . . . . 25.0 108.927 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.35 -30.37 70.16 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 121.755 -0.591 . . . . 25.0 110.171 177.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.7 t -70.67 -45.53 64.91 Favored 'General case' 0 C--O 1.221 -0.427 0 C-N-CA 123.251 0.62 . . . . 25.0 110.711 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 pp -66.15 -33.77 76.53 Favored 'General case' 0 CA--C 1.489 -1.39 0 O-C-N 121.518 -0.739 . . . . 25.0 109.515 178.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.0 tp -65.16 -43.89 90.3 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.366 -0.834 . . . . 25.0 113.05 -177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -69.35 -26.22 64.58 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 120.154 -0.618 . . . . 25.0 111.885 176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -78.19 -51.81 9.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.177 0.513 . . . . 25.0 112.296 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -84.46 -31.02 24.79 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.36 0.874 . . . . 25.0 113.36 -176.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -136.1 68.99 63.62 Favored Pre-proline 0 C--O 1.242 0.682 0 N-CA-C 114.473 1.286 . . . . 25.0 114.473 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.68 -36.14 89.1 Favored 'Trans proline' 0 CA--C 1.553 1.448 0 N-CA-C 118.208 2.349 . . . . 25.0 118.208 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_endo -69.53 -30.15 23.82 Favored 'Trans proline' 0 C--N 1.362 1.287 1 C-N-CA 112.277 -4.682 . . . . 25.0 115.784 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -75.43 -30.93 60.19 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 120.795 -1.191 . . . . 25.0 108.45 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.56 -49.36 71.52 Favored 'General case' 0 C--O 1.21 -0.997 0 C-N-CA 119.977 -0.689 . . . . 25.0 112.169 178.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -31.95 70.71 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 118.981 0.81 . . . . 25.0 111.843 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.527 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -58.97 -44.2 91.48 Favored 'General case' 0 N--CA 1.438 -1.039 0 C-N-CA 123.491 0.716 . . . . 25.0 111.777 173.044 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.9 tp -66.16 -43.78 85.99 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.938 -0.573 . . . . 25.0 110.366 177.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.18 -31.29 72.4 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 121.215 0.531 . . . . 25.0 111.223 -174.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.2 m -72.15 -23.8 61.35 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-N 115.767 -0.651 . . . . 25.0 112.113 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.7 -19.8 22.68 Favored Glycine 0 C--O 1.238 0.395 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.344 -178.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.425 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 45.0 t0 -63.24 114.58 3.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.0 0.428 . . . . 25.0 111.357 -179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -66.98 -36.24 81.75 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.4 -0.593 . . . . 25.0 109.4 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.47 -52.12 66.96 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.668 -0.413 . . . . 25.0 110.287 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.527 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 10.2 ptmt -65.44 -38.35 89.61 Favored 'General case' 0 C--O 1.219 -0.501 0 C-N-CA 120.182 -0.607 . . . . 25.0 110.079 177.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.511 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 68.4 t80 -59.22 -51.97 67.68 Favored 'General case' 0 C--O 1.216 -0.701 0 CA-C-N 118.845 0.748 . . . . 25.0 111.784 177.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.9 t -64.01 -40.14 95.67 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.913 0.708 . . . . 25.0 112.913 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -44.82 96.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.046 -0.353 . . . . 25.0 110.046 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 61.0 t -73.94 -34.3 39.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.363 -0.606 . . . . 25.0 109.363 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.509 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.9 tp -56.23 -46.96 79.33 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 121.834 -0.541 . . . . 25.0 110.987 179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.6 p -72.34 -35.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.363 -0.535 . . . . 25.0 111.172 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -63.07 -40.78 98.69 Favored 'General case' 0 N--CA 1.471 0.61 0 O-C-N 121.648 -0.657 . . . . 25.0 110.741 176.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.2 mm-40 -67.63 -36.92 81.69 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.782 178.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -65.12 -38.11 89.62 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.43 -0.508 . . . . 25.0 109.864 176.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.2 mt-30 -64.74 -40.57 95.54 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.216 -0.302 . . . . 25.0 111.623 178.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -69.6 -39.66 77.13 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 121.595 -0.691 . . . . 25.0 111.338 177.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 65.4 mtt180 -60.02 -41.4 92.1 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 177.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.72 -34.68 78.38 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 112.971 0.73 . . . . 25.0 112.971 176.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -36.93 69.33 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 121.426 -0.796 . . . . 25.0 109.97 -177.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -78.2 -26.46 47.52 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-O 121.187 0.518 . . . . 25.0 110.702 177.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.5 -36.65 61.95 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 116.318 -0.401 . . . . 25.0 110.097 176.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -57.8 -43.53 85.7 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -75.25 -31.53 60.83 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.968 -0.458 . . . . 25.0 110.304 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 8.4 mtp85 -71.28 -43.58 66.88 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 33.3 pt -69.76 -18.74 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 CA-C-O 120.995 0.426 . . . . 25.0 110.999 179.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 -64.61 -17.55 64.1 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.515 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 21.8 tp 58.84 -170.55 0.12 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.101 0.96 . . . . 25.0 110.188 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.515 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 47.4 m-85 62.46 -32.51 0.1 Allowed 'General case' 0 N--CA 1.468 0.433 0 N-CA-C 120.057 3.355 . . . . 25.0 120.057 178.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.4 m -139.25 24.24 2.52 Favored 'General case' 0 C--N 1.309 -1.177 0 N-CA-C 107.949 -1.13 . . . . 25.0 107.949 176.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -88.71 49.76 1.84 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.246 -1.343 . . . . 25.0 109.895 -178.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -65.43 154.03 88.75 Favored Pre-proline 0 C--O 1.244 0.764 0 N-CA-C 109.016 -0.735 . . . . 25.0 109.016 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -70.99 159.48 52.37 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 118.038 -0.841 . . . . 25.0 111.638 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.2 p90 -124.03 11.37 8.9 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.766 0.793 . . . . 25.0 110.31 -175.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.4 t0 -155.17 121.81 5.35 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 104.397 -2.445 . . . . 25.0 104.397 -177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.8 mt -79.99 -38.14 32.76 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -80.96 -34.42 33.17 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.026 0.75 . . . . 25.0 113.026 -175.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.61 34.64 0.14 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.195 1.183 . . . . 25.0 114.195 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -107.11 153.31 22.83 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.103 0.477 . . . . 25.0 111.371 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -149.5 172.73 14.51 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -68.4 153.61 43.41 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 177.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.1 mt -89.77 90.99 3.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 105.577 -2.009 . . . . 25.0 105.577 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -139.6 157.72 45.32 Favored 'General case' 0 N--CA 1.44 -0.942 0 N-CA-C 106.94 -1.504 . . . . 25.0 106.94 -178.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.25 166.35 30.19 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.43 0.292 . . . . 25.0 110.765 -174.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -149.7 64.8 0.99 Allowed 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 109.28 -0.637 . . . . 25.0 109.28 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.7 pt -78.12 43.77 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 CA-C-O 122.046 0.927 . . . . 25.0 113.32 -176.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -67.77 12.5 0.1 Allowed 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 116.556 2.058 . . . . 25.0 116.556 -177.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 . . . . . 0 C--O 1.209 -1.031 0 CA-C-O 124.149 1.928 . . . . 25.0 111.024 177.857 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 124.09 1.9 . . . . 25.0 114.389 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.0 mp0 -69.52 137.34 52.4 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.199 -1.364 . . . . 25.0 110.263 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -75.36 163.57 27.31 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.41 0.624 . . . . 25.0 111.76 -178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.8 m -89.94 8.75 30.71 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 115.087 1.514 . . . . 25.0 115.087 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.2 m80 56.56 42.91 26.58 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.969 0.89 . . . . 25.0 109.963 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 m -140.02 172.57 12.58 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.788 -1.189 . . . . 25.0 107.788 -175.671 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 34.9 m -111.49 78.85 2.09 Favored Pre-proline 0 N--CA 1.475 0.8 0 CA-C-O 120.645 0.259 . . . . 25.0 111.354 176.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_endo -77.64 84.17 2.03 Favored 'Trans proline' 0 CA--C 1.539 0.771 0 N-CA-C 113.873 0.682 . . . . 25.0 113.873 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -120.19 -64.62 0.26 Allowed Glycine 0 C--O 1.226 -0.365 0 CA-C-N 115.645 -0.707 . . . . 25.0 114.185 179.424 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -85.77 27.68 0.84 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 115.132 1.53 . . . . 25.0 115.132 -173.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.46 -0.24 3.63 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.196 0 CA-C-O 122.337 1.065 . . . . 25.0 111.458 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.7 p -94.11 76.8 4.06 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 114.797 -1.092 . . . . 25.0 113.13 -175.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.2 t -152.76 153.13 32.57 Favored 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 107.485 -1.302 . . . . 25.0 107.485 177.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 29.0 m 30.92 70.88 0.62 Allowed Pre-proline 0 N--CA 1.479 0.987 0 N-CA-C 116.318 1.969 . . . . 25.0 116.318 177.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -70.74 -4.82 15.46 Favored 'Trans proline' 0 CA--C 1.506 -0.88 0 C-N-CA 121.14 1.227 . . . . 25.0 114.999 -178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 69.41 -37.47 0.37 Allowed 'General case' 0 C--O 1.211 -0.928 0 C-N-CA 126.442 1.897 . . . . 25.0 112.996 -177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.47 17.62 6.37 Favored Glycine 0 C--O 1.219 -0.815 0 O-C-N 122.22 -0.3 . . . . 25.0 112.95 172.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 pp -66.75 -33.92 76.7 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 122.342 -0.505 . . . . 25.0 111.612 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -93.68 -22.86 18.49 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.402 -0.962 . . . . 25.0 108.402 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -115.53 79.21 7.05 Favored Pre-proline 0 C--O 1.245 0.855 0 CA-C-N 114.844 -1.071 . . . . 25.0 111.278 -178.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.465 ' HB3' HD22 ' A' ' 61' ' ' LEU . 56.8 Cg_endo -64.27 -22.92 66.38 Favored 'Trans proline' 0 C--O 1.21 -0.922 0 C-N-CA 118.175 -0.75 . . . . 25.0 111.698 175.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.91 -45.39 90.44 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.501 0.667 . . . . 25.0 110.717 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -73.65 -42.29 61.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.895 -1.048 . . . . 25.0 110.349 -177.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.05 -38.66 86.22 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.253 -0.43 . . . . 25.0 110.643 -178.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -58.13 -44.8 87.99 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.327 -0.62 . . . . 25.0 109.327 175.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -66.0 -46.83 76.59 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.07 -0.514 . . . . 25.0 110.795 -176.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.6 ttp -60.58 -42.54 96.89 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 116.472 -0.331 . . . . 25.0 111.125 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.1 mt -65.45 -43.75 89.39 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 111.962 0.356 . . . . 25.0 111.962 -178.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.6 mt -63.5 -36.08 82.57 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.746 0.308 . . . . 25.0 110.378 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.57 -15.94 59.73 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.03 -0.532 . . . . 25.0 111.633 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -109.36 102.56 49.88 Favored Pre-proline 0 C--O 1.235 0.339 0 N-CA-C 112.631 0.604 . . . . 25.0 112.631 -174.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -66.39 -25.14 49.15 Favored 'Trans proline' 0 CA--C 1.533 0.449 0 N-CA-C 115.988 1.495 . . . . 25.0 115.988 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -78.0 -41.95 34.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.864 0.84 . . . . 25.0 110.908 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -71.13 -37.01 72.32 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.034 -0.985 . . . . 25.0 109.648 -175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -29.98 67.43 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 122.008 -0.433 . . . . 25.0 110.154 177.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 73.8 m -74.41 -42.43 59.22 Favored 'General case' 0 C--O 1.218 -0.566 0 CA-C-N 116.543 -0.299 . . . . 25.0 111.489 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -66.97 -30.37 70.48 Favored 'General case' 0 CA--C 1.484 -1.56 0 C-N-CA 119.319 -0.953 . . . . 25.0 108.733 178.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.0 tp -68.96 -43.26 75.36 Favored 'General case' 0 N--CA 1.434 -1.237 0 CA-C-N 115.456 -0.793 . . . . 25.0 112.577 -178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -68.73 -28.55 66.92 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 119.804 -0.759 . . . . 25.0 111.607 175.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -73.64 -52.1 14.51 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.315 0.579 . . . . 25.0 111.961 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -85.96 -28.49 24.22 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 114.35 1.241 . . . . 25.0 114.35 -173.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -138.36 70.1 46.89 Favored Pre-proline 0 C--N 1.319 -0.755 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 -177.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -54.43 -37.27 89.48 Favored 'Trans proline' 0 CA--C 1.551 1.35 0 N-CA-C 117.801 2.193 . . . . 25.0 117.801 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.7 -29.25 29.73 Favored 'Trans proline' 0 C--N 1.36 1.159 1 C-N-CA 112.261 -4.693 . . . . 25.0 116.252 177.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 23.9 tp -75.3 -35.56 61.26 Favored 'General case' 0 CA--C 1.511 -0.524 0 O-C-N 120.796 -1.19 . . . . 25.0 108.503 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.61 80.0 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 112.85 0.685 . . . . 25.0 112.85 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -60.53 -30.84 70.01 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.026 0.83 . . . . 25.0 110.362 -176.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.411 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -66.41 -38.77 88.2 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-N 115.462 -0.79 . . . . 25.0 110.459 178.585 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 13.6 tp -66.84 -44.97 79.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.935 -0.575 . . . . 25.0 110.393 176.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.9 mt -64.24 -28.62 69.86 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.185 0.517 . . . . 25.0 112.273 -175.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -74.12 -17.81 60.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.525 -0.761 . . . . 25.0 112.163 -179.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.54 -30.27 4.19 Favored Glycine 0 CA--C 1.518 0.258 0 C-N-CA 121.356 -0.449 . . . . 25.0 113.713 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.23 110.35 0.93 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.51 0.672 . . . . 25.0 112.53 179.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.04 -33.9 76.43 Favored 'General case' 0 C--O 1.217 -0.623 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 176.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -51.14 -56.29 13.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.553 -0.749 . . . . 25.0 110.867 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 19.4 ptmt -73.36 -33.77 65.24 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.747 -0.66 . . . . 25.0 111.407 -177.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -60.11 -50.9 71.88 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 120.471 -0.492 . . . . 25.0 110.375 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.7 t -61.36 -40.49 94.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.171 0.51 . . . . 25.0 112.251 177.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 8.8 tmm_? -63.08 -44.86 94.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.072 -0.392 . . . . 25.0 110.197 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 45.7 t -73.52 -32.62 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 C-N-CA 119.537 -0.865 . . . . 25.0 109.185 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.465 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -57.68 -45.14 86.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.225 -0.297 . . . . 25.0 110.815 178.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.5 p -73.55 -35.6 45.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.261 -0.576 . . . . 25.0 111.07 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -62.31 -40.83 97.61 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 118.586 0.63 . . . . 25.0 110.972 177.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -67.28 -36.36 81.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 121.93 -0.481 . . . . 25.0 109.769 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -69.39 -33.46 73.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 121.965 -0.459 . . . . 25.0 110.554 176.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -66.01 -43.52 87.45 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 121.684 -0.635 . . . . 25.0 111.132 175.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -66.46 -37.31 84.85 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.374 -0.829 . . . . 25.0 110.376 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.2 mtt-85 -61.01 -43.9 98.2 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-N 115.638 -0.71 . . . . 25.0 109.543 173.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.96 -33.13 72.71 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 112.402 0.519 . . . . 25.0 112.402 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -64.75 -50.05 68.37 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 122.083 -0.386 . . . . 25.0 109.963 178.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -73.91 -27.43 61.03 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.477 -179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -35.52 81.07 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 122.315 -0.241 . . . . 25.0 111.301 178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -60.91 -39.01 87.72 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 120.717 0.294 . . . . 25.0 110.496 177.668 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -75.4 -31.51 60.45 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.03 0.443 . . . . 25.0 111.404 178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -64.95 -43.11 93.8 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.561 -0.712 . . . . 25.0 111.413 176.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.4 pt -75.96 -16.6 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.984 -0.447 . . . . 25.0 111.184 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 55.6 ttt180 -66.08 -26.87 67.68 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.295 -0.411 . . . . 25.0 111.277 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 62.7 tp 64.05 -48.01 0.28 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 126.493 1.917 . . . . 25.0 115.462 -179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -94.42 83.2 4.13 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.574 -0.899 . . . . 25.0 108.574 177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 32.1 p -128.24 116.17 19.47 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.461 -1.245 . . . . 25.0 109.224 -179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.12 32.17 2.0 Allowed 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 -179.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.3 151.18 44.82 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 107.294 -1.373 . . . . 25.0 107.294 -178.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -76.9 158.19 34.75 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 117.444 -1.238 . . . . 25.0 113.343 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -127.31 31.55 5.2 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.209 -1.404 . . . . 25.0 107.209 177.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.2 t0 66.89 105.55 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.76 1.624 . . . . 25.0 112.361 -172.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.49 -23.76 50.27 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.976 -1.011 . . . . 25.0 112.139 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -85.84 -54.12 4.71 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.12 -1.067 . . . . 25.0 108.12 177.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 44.58 39.92 3.64 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 114.542 1.312 . . . . 25.0 114.542 176.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -128.29 175.74 8.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.022 -0.535 . . . . 25.0 111.982 -177.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 61.81 -173.97 0.14 Allowed 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.068 0.947 . . . . 25.0 112.407 -179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.3 mtmt -144.82 161.75 38.49 Favored 'General case' 0 CA--C 1.509 -0.605 0 N-CA-C 104.999 -2.223 . . . . 25.0 104.999 -177.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 79.1 mt -125.25 108.33 19.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 103.98 -2.6 . . . . 25.0 103.98 174.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -120.61 132.4 55.12 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 108.007 -1.109 . . . . 25.0 108.007 -174.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 58.6 mp0 -80.67 124.93 29.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.775 0.798 . . . . 25.0 112.67 -176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.01 27.86 0.14 Allowed 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.297 -0.865 . . . . 25.0 113.306 178.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.8 mt -82.9 54.29 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 CA-C-O 123.101 1.429 . . . . 25.0 107.509 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -88.67 45.85 1.33 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.932 -1.031 . . . . 25.0 111.465 -174.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 . . . . . 0 N--CA 1.487 1.392 0 C-N-CA 125.948 1.699 . . . . 25.0 113.987 179.974 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.6 m . . . . . 0 N--CA 1.528 3.447 0 CA-C-O 124.573 2.13 . . . . 25.0 114.27 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -76.91 41.76 0.29 Allowed 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 114.066 -1.425 . . . . 25.0 112.412 -179.559 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -69.21 -24.89 64.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 122.007 -0.433 . . . . 25.0 111.549 -178.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 13.3 m 66.46 139.87 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.968 1.307 . . . . 25.0 114.281 179.48 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.9 m170 -80.01 -39.16 30.56 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.684 -0.635 . . . . 25.0 111.201 -178.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m 47.85 35.74 5.17 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.141 1.904 . . . . 25.0 116.141 175.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 43.7 t -130.27 83.32 63.22 Favored Pre-proline 0 N--CA 1.47 0.574 0 N-CA-C 113.748 1.018 . . . . 25.0 113.748 -175.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -76.41 92.23 1.09 Allowed 'Trans proline' 0 CA--C 1.545 1.051 0 CA-C-N 118.135 0.369 . . . . 25.0 112.91 176.077 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -156.38 48.87 0.47 Allowed Glycine 0 C--O 1.226 -0.356 0 N-CA-C 116.497 1.359 . . . . 25.0 116.497 -176.098 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -77.47 33.18 0.16 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 121.76 0.79 . . . . 25.0 112.356 179.25 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 92.6 mt -78.11 -23.86 13.8 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.925 0 CA-C-O 123.439 1.59 . . . . 25.0 110.496 -175.222 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -165.5 -40.63 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.283 0 CA-C-N 111.975 -2.375 . . . . 25.0 110.485 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.5 m -75.05 165.22 25.59 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.716 -0.674 . . . . 25.0 109.535 177.313 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.3 t -114.02 68.16 1.62 Allowed Pre-proline 0 CA--C 1.544 0.748 0 CA-C-O 120.984 0.421 . . . . 25.0 111.545 176.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -76.65 -10.37 18.57 Favored 'Trans proline' 0 C--N 1.349 0.58 0 CA-C-O 121.837 0.682 . . . . 25.0 113.744 -177.079 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -68.9 -11.38 60.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.844 -1.071 . . . . 25.0 110.867 177.075 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 83.6 24.9 48.71 Favored Glycine 0 C--O 1.222 -0.625 0 C-N-CA 120.691 -0.766 . . . . 25.0 112.216 178.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.0 mt -69.82 -26.2 64.13 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.752 -0.833 . . . . 25.0 108.752 178.332 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -89.14 -12.24 41.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.778 -1.101 . . . . 25.0 110.227 177.59 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -131.6 76.07 75.55 Favored Pre-proline 0 C--O 1.242 0.666 0 N-CA-C 113.235 0.828 . . . . 25.0 113.235 -176.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.466 ' HB3' HD22 ' A' ' 61' ' ' LEU . 29.6 Cg_endo -59.51 -33.31 97.12 Favored 'Trans proline' 0 C--O 1.223 -0.266 0 N-CA-C 113.127 0.395 . . . . 25.0 113.127 176.609 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.74 96.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 122.323 -0.235 . . . . 25.0 111.587 -179.102 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 67.2 mt -77.95 -40.72 38.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.024 0.44 . . . . 25.0 110.408 -178.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.4 tp -65.41 -40.71 93.74 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 120.67 -0.412 . . . . 25.0 111.248 -178.028 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.4 ttp85 -56.59 -45.06 81.57 Favored 'General case' 0 C--O 1.22 -0.452 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 176.373 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -62.47 -43.61 98.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.129 0.49 . . . . 25.0 111.631 -177.03 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.5 tmm? -63.65 -49.54 72.84 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.986 -0.552 . . . . 25.0 111.088 178.395 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 67.7 mt -61.47 -41.47 97.29 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.819 -0.628 . . . . 25.0 112.305 -177.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.5 mt -63.32 -33.35 75.34 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.26 0.552 . . . . 25.0 109.782 178.242 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.02 -4.0 59.07 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.979 -0.555 . . . . 25.0 112.46 179.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -122.84 99.76 41.21 Favored Pre-proline 0 CA--C 1.534 0.343 0 N-CA-C 113.056 0.761 . . . . 25.0 113.056 -175.82 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -66.62 -24.52 48.16 Favored 'Trans proline' 0 CA--C 1.533 0.457 0 N-CA-C 115.693 1.382 . . . . 25.0 115.693 -176.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.3 t60 -76.29 -39.52 54.02 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.825 0.821 . . . . 25.0 110.796 178.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -75.47 -33.46 60.82 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.141 -0.936 . . . . 25.0 108.684 -174.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.59 -29.14 64.36 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.44 -0.578 . . . . 25.0 109.44 175.293 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.7 t -71.63 -43.33 66.35 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 122.157 -0.34 . . . . 25.0 111.223 -178.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -66.58 -29.38 69.42 Favored 'General case' 0 CA--C 1.491 -1.301 0 CA-C-O 121.997 0.903 . . . . 25.0 109.897 177.481 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.9 tp -70.17 -45.68 66.2 Favored 'General case' 0 N--CA 1.433 -1.313 0 CA-C-N 115.094 -0.957 . . . . 25.0 112.148 -178.558 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ptpt -66.71 -26.05 66.83 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 122.011 -0.431 . . . . 25.0 111.063 174.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -73.54 -54.52 8.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.196 0.522 . . . . 25.0 111.594 175.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -93.51 -23.89 18.18 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 116.394 1.998 . . . . 25.0 116.394 -169.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -135.7 71.94 63.74 Favored Pre-proline 0 C--N 1.318 -0.769 0 N-CA-C 112.134 0.42 . . . . 25.0 112.134 179.158 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -54.86 -39.56 89.49 Favored 'Trans proline' 0 CA--C 1.552 1.415 0 N-CA-C 117.845 2.209 . . . . 25.0 117.845 -178.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -68.22 -32.26 27.32 Favored 'Trans proline' 0 C--N 1.361 1.226 1 C-N-CA 112.687 -4.408 . . . . 25.0 115.642 178.81 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.1 tp -73.81 -32.45 63.73 Favored 'General case' 0 N--CA 1.466 0.332 0 O-C-N 120.897 -1.127 . . . . 25.0 108.995 177.085 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.37 -50.25 68.42 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 120.44 -0.504 . . . . 25.0 111.924 179.28 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -60.1 -31.58 70.17 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 118.366 0.53 . . . . 25.0 111.866 -178.127 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.495 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -59.43 -40.75 87.75 Favored 'General case' 0 N--CA 1.44 -0.946 0 C-N-CA 122.978 0.511 . . . . 25.0 111.28 174.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.9 tp -71.8 -42.6 66.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.705 -0.68 . . . . 25.0 110.725 177.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 17.0 mt -62.86 -33.38 75.15 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 121.768 0.794 . . . . 25.0 109.8 -176.429 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 9.6 t -71.55 -22.96 61.68 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 114.848 -1.069 . . . . 25.0 111.964 -179.526 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.65 -17.44 35.24 Favored Glycine 0 N--CA 1.457 0.078 0 N-CA-C 114.199 0.44 . . . . 25.0 114.199 178.111 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 44.1 t0 -70.36 113.47 7.54 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.942 0.401 . . . . 25.0 111.502 -177.494 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -65.65 -33.45 75.93 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 109.653 -0.499 . . . . 25.0 109.653 177.7 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -57.23 -53.3 59.64 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 12.3 ptmt -67.94 -35.71 78.88 Favored 'General case' 0 C--O 1.217 -0.636 0 C-N-CA 119.913 -0.715 . . . . 25.0 111.119 178.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.495 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 76.9 t80 -60.85 -51.12 70.65 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 118.677 0.671 . . . . 25.0 111.198 177.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 32.0 t -63.15 -38.23 90.36 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.054 0.39 . . . . 25.0 112.054 177.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.57 79.36 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.089 -0.337 . . . . 25.0 110.089 179.97 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 59.0 t -70.15 -34.31 58.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 C-N-CA 120.082 -0.647 . . . . 25.0 109.454 -179.305 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.4 tp -57.8 -44.97 86.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.892 -0.505 . . . . 25.0 111.812 179.47 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.1 p -76.62 -33.81 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.496 -0.482 . . . . 25.0 110.718 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -62.15 -42.96 99.76 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 121.757 -0.589 . . . . 25.0 110.909 177.214 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -61.98 -35.65 79.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.754 0.312 . . . . 25.0 111.057 177.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -69.94 -38.82 76.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 121.98 -0.45 . . . . 25.0 110.691 177.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -67.33 -38.89 85.63 Favored 'General case' 0 C--N 1.328 -0.367 0 O-C-N 122.152 -0.342 . . . . 25.0 110.46 177.406 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -66.36 -43.47 85.92 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.386 0.612 . . . . 25.0 110.178 179.331 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -56.05 -46.34 78.93 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.095 -0.502 . . . . 25.0 109.653 176.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.07 99.79 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.553 -0.294 . . . . 25.0 111.434 179.937 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -67.97 -42.8 80.3 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.631 -0.668 . . . . 25.0 110.964 -176.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -74.45 -38.91 62.84 Favored 'General case' 0 C--O 1.21 -0.991 0 C-N-CA 120.125 -0.63 . . . . 25.0 111.772 -175.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.65 -38.36 77.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 118.36 0.527 . . . . 25.0 111.519 178.022 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -63.34 -37.3 86.73 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.562 0.22 . . . . 25.0 110.884 178.107 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -73.42 -33.96 65.23 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.648 0.261 . . . . 25.0 111.128 177.903 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 35.3 mtm180 -66.08 -40.7 91.03 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.885 -0.51 . . . . 25.0 111.142 178.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 38.7 pt -75.8 -18.79 15.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 O-C-N 121.881 -0.512 . . . . 25.0 111.312 177.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -75.17 -15.99 60.54 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 119.306 -0.378 . . . . 25.0 111.418 177.008 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.4 tp 65.83 -44.05 0.38 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.457 1.903 . . . . 25.0 114.731 -175.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -100.5 125.86 46.87 Favored 'General case' 0 C--N 1.319 -0.719 0 O-C-N 122.258 -0.276 . . . . 25.0 110.307 177.712 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.1 t -146.98 154.29 41.07 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 105.944 -1.872 . . . . 25.0 105.944 172.298 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -122.76 18.41 10.27 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 124.031 0.832 . . . . 25.0 110.473 176.555 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -116.09 150.49 45.24 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 107.775 -1.195 . . . . 25.0 107.775 -179.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -73.98 161.01 42.08 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 117.371 -1.286 . . . . 25.0 113.563 -179.579 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -108.64 34.03 3.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.695 -1.224 . . . . 25.0 107.695 -178.566 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 40.1 t0 66.55 113.2 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 118.844 2.905 . . . . 25.0 118.844 173.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -75.45 -21.67 57.95 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 113.699 -1.591 . . . . 25.0 112.742 175.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -80.84 -21.13 41.05 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.224 0.535 . . . . 25.0 110.904 -179.721 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -76.85 27.89 0.13 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.473 0.916 . . . . 25.0 113.473 179.145 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -99.3 134.04 42.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.492 0.663 . . . . 25.0 111.147 -178.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.4 151.96 26.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.469 -0.787 . . . . 25.0 110.977 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -118.03 173.54 6.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 106.754 -1.572 . . . . 25.0 106.754 175.137 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 71.2 mt -124.01 107.55 18.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 107.377 -1.342 . . . . 25.0 107.377 177.06 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -142.74 122.22 13.21 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 123.589 0.756 . . . . 25.0 111.598 -176.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -106.68 117.58 34.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.443 0.64 . . . . 25.0 109.336 169.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -149.03 66.51 1.03 Allowed 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 122.12 0.962 . . . . 25.0 110.138 178.004 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.5 pt -119.47 14.91 6.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 122.624 1.202 . . . . 25.0 108.048 178.154 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -83.92 46.76 1.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 CA-C-N 114.229 -1.35 . . . . 25.0 112.636 -176.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 . . . . . 0 C--O 1.214 -0.807 0 CA-C-O 126.56 3.076 . . . . 25.0 112.07 -178.238 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.387 0 CA-C-O 123.96 1.838 . . . . 25.0 113.977 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -126.92 156.21 41.83 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 113.533 -1.667 . . . . 25.0 108.265 -179.983 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -142.98 155.79 44.74 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 106.916 -1.513 . . . . 25.0 106.916 176.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.1 m -160.33 175.96 12.24 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 105.107 -2.183 . . . . 25.0 105.107 -178.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 69.0 -32.34 0.22 Allowed 'General case' 0 N--CA 1.485 1.303 0 N-CA-C 115.325 1.602 . . . . 25.0 115.325 179.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.3 p -76.91 68.81 3.15 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 114.66 1.356 . . . . 25.0 114.66 -178.908 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.417 ' HB2' ' HD3' ' A' ' 8' ' ' PRO . 6.0 m -151.51 -59.43 0.02 OUTLIER Pre-proline 0 CA--C 1.548 0.873 0 N-CA-C 113.756 1.021 . . . . 25.0 113.756 174.253 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.417 ' HD3' ' HB2' ' A' ' 7' ' ' SER . 24.3 Cg_endo -88.36 20.84 1.08 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 115.985 -2.21 . . . . 25.0 114.169 -178.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.42 -46.31 3.19 Favored Glycine 0 CA--C 1.491 -1.424 0 N-CA-C 110.827 -0.909 . . . . 25.0 110.827 -172.028 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 50.83 76.37 0.16 Allowed 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 106.911 -1.515 . . . . 25.0 106.911 -173.051 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.426 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -68.65 61.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.428 -1.53 0 C-N-CA 126.364 1.866 . . . . 25.0 111.635 -175.931 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.7 p -71.09 161.1 31.7 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 113.794 -1.548 . . . . 25.0 111.465 -177.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -75.05 14.24 0.56 Allowed 'General case' 0 C--O 1.214 -0.801 0 N-CA-C 112.975 0.731 . . . . 25.0 112.975 177.622 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.8 m 52.2 66.18 5.36 Favored Pre-proline 0 C--N 1.319 -0.726 0 N-CA-C 114.18 1.178 . . . . 25.0 114.18 -178.674 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.39 -2.37 8.98 Favored 'Trans proline' 0 C--N 1.357 0.984 0 C-N-CA 123.679 2.92 . . . . 25.0 113.975 178.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.38 0.8 0.25 Allowed 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 113.412 -1.722 . . . . 25.0 112.535 171.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 90.02 9.82 65.26 Favored Glycine 0 C--O 1.225 -0.44 0 N-CA-C 112.193 -0.363 . . . . 25.0 112.193 178.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' HA ' HD21 ' A' ' 61' ' ' LEU . 73.5 mt -79.36 -38.54 34.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.457 0.646 . . . . 25.0 109.849 -178.689 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -78.44 -22.39 47.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 122.295 1.045 . . . . 25.0 109.024 177.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -118.93 73.69 12.44 Favored Pre-proline 0 C--O 1.24 0.562 0 CA-C-N 115.23 -0.895 . . . . 25.0 113.293 178.078 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.736 ' HB3' HD22 ' A' ' 61' ' ' LEU . 38.1 Cg_endo -62.37 -28.89 78.84 Favored 'Trans proline' 0 C--O 1.213 -0.771 0 O-C-N 121.728 0.331 . . . . 25.0 112.064 175.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.1 -44.04 96.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 122.335 -0.228 . . . . 25.0 110.691 179.629 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 81.7 mt -72.93 -41.39 64.59 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 116.358 -0.383 . . . . 25.0 110.145 -179.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.2 tp -64.01 -42.4 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.953 -0.388 . . . . 25.0 109.953 -179.293 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.98 -44.42 91.55 Favored 'General case' 0 C--O 1.215 -0.719 0 N-CA-C 109.313 -0.625 . . . . 25.0 109.313 176.078 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -64.97 -43.98 90.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.878 0.37 . . . . 25.0 111.378 -177.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 50.2 ttp -62.12 -43.87 97.88 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.058 0.456 . . . . 25.0 110.458 177.968 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 mt -65.36 -40.65 93.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 25.0 111.607 -178.548 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.7 mt -61.94 -37.75 85.86 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.208 0.528 . . . . 25.0 109.704 178.61 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.47 -13.56 59.01 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.978 0.733 . . . . 25.0 112.978 -179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 -111.6 100.61 48.67 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 -173.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -65.25 -25.61 57.21 Favored 'Trans proline' 0 CA--C 1.534 0.517 0 N-CA-C 115.279 1.223 . . . . 25.0 115.279 -177.202 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -76.14 -43.36 43.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.48 0.657 . . . . 25.0 111.161 178.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -73.98 -38.44 64.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.173 -0.677 . . . . 25.0 109.173 -174.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.9 -30.11 71.29 Favored 'General case' 0 C--N 1.319 -0.717 0 O-C-N 121.595 -0.691 . . . . 25.0 110.826 176.137 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.2 t -74.82 -39.61 61.55 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.186 0.594 . . . . 25.0 111.216 -179.406 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.1 pp -69.04 -33.77 74.12 Favored 'General case' 0 CA--C 1.481 -1.696 0 N-CA-C 108.49 -0.93 . . . . 25.0 108.49 176.42 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.4 tp -63.83 -43.06 97.34 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 115.252 -0.886 . . . . 25.0 112.595 -178.644 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -68.54 -26.14 65.28 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 120.083 -0.647 . . . . 25.0 112.495 175.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -78.68 -51.89 9.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.018 0.437 . . . . 25.0 110.656 177.352 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -81.14 -34.1 32.72 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 115.586 1.699 . . . . 25.0 115.586 -176.447 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.424 HD21 ' CD ' ' A' ' 64' ' ' GLN . 17.7 t-20 -137.35 66.77 52.61 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 113.179 0.807 . . . . 25.0 113.179 -176.351 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -53.31 -34.81 72.03 Favored 'Trans proline' 0 CA--C 1.548 1.221 0 N-CA-C 118.071 2.297 . . . . 25.0 118.071 -178.726 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.87 -29.14 28.83 Favored 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 112.403 -4.598 . . . . 25.0 116.014 177.054 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.47 -33.59 60.83 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 120.681 -1.262 . . . . 25.0 107.747 175.326 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.72 -49.32 76.9 Favored 'General case' 0 C--O 1.211 -0.931 0 CA-C-N 115.482 -0.781 . . . . 25.0 112.276 178.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -61.76 -32.57 72.84 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.07 0.85 . . . . 25.0 110.674 -177.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.468 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -59.78 -43.99 94.13 Favored 'General case' 0 N--CA 1.43 -1.426 0 CA-C-N 115.869 -0.605 . . . . 25.0 111.57 174.333 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.4 tp -66.25 -41.13 90.38 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.695 -0.684 . . . . 25.0 110.693 178.565 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.0 mt -63.81 -31.49 72.69 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.362 0.601 . . . . 25.0 110.756 -176.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 42.4 m -73.75 -24.24 59.85 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.473 -0.785 . . . . 25.0 111.644 -179.225 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.7 -11.95 54.4 Favored Glycine 0 CA--C 1.518 0.238 0 CA-C-N 116.306 -0.406 . . . . 25.0 112.563 -178.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 48.2 t0 -70.18 112.4 6.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.805 0.336 . . . . 25.0 111.197 -178.798 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.64 -36.95 85.51 Favored 'General case' 0 C--O 1.211 -0.924 0 N-CA-C 109.726 -0.472 . . . . 25.0 109.726 176.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -57.09 -54.69 43.93 Favored 'General case' 0 CA--C 1.51 -0.592 0 O-C-N 121.762 -0.586 . . . . 25.0 110.452 -179.704 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.464 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.2 ptmt -64.88 -38.23 90.27 Favored 'General case' 0 C--O 1.217 -0.642 0 C-N-CA 119.828 -0.749 . . . . 25.0 110.197 -179.419 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.468 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 61.3 t80 -59.8 -53.03 62.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 118.654 0.661 . . . . 25.0 111.993 176.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.6 t -63.86 -43.03 97.31 Favored 'General case' 0 C--O 1.217 -0.637 0 N-CA-C 112.317 0.488 . . . . 25.0 112.317 -179.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 44.6 ttm-85 -61.63 -45.25 94.85 Favored 'General case' 0 C--N 1.319 -0.73 0 O-C-N 121.837 -0.539 . . . . 25.0 111.504 -178.545 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 78.9 t -69.02 -34.22 62.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.736 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.6 tp -59.17 -41.22 87.9 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 110.167 -0.309 . . . . 25.0 110.167 175.98 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 98.5 t -64.04 -44.38 97.76 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 118.051 0.387 . . . . 25.0 110.375 177.481 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -57.29 -44.84 84.42 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.492 0.663 . . . . 25.0 109.904 179.708 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' CD ' HD21 ' A' ' 42' ' ' ASN . 21.7 mt-30 -70.74 -33.25 70.62 Favored 'General case' 0 C--O 1.217 -0.628 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 176.546 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -62.74 -38.02 88.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 118.013 0.37 . . . . 25.0 110.575 177.515 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -61.78 -38.76 89.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.079 0.466 . . . . 25.0 109.761 178.533 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -78.16 -33.86 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.358 0.599 . . . . 25.0 111.515 -179.229 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -38.97 92.97 Favored 'General case' 0 C--O 1.219 -0.55 0 C-N-CA 122.812 0.445 . . . . 25.0 110.486 177.184 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -56.63 -30.81 63.7 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.895 0.379 . . . . 25.0 110.997 178.67 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 66.2 mtt180 -74.75 -31.22 61.74 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.534 -0.303 . . . . 25.0 110.964 179.393 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -75.4 -34.1 61.04 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 122.106 0.955 . . . . 25.0 109.243 176.639 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.78 -28.77 69.8 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.411 -1.268 . . . . 25.0 112.065 -175.73 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -54.06 -39.99 66.74 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.041 -0.527 . . . . 25.0 110.147 173.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -75.15 -31.26 61.0 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.185 -0.322 . . . . 25.0 111.766 178.572 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 90.3 mtt-85 -63.74 -42.89 97.79 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 121.905 -0.497 . . . . 25.0 112.337 179.434 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.4 pt -70.15 -18.77 21.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 C-N-CA 120.047 -0.661 . . . . 25.0 110.774 -177.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -83.16 -18.91 37.74 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 122.294 0.238 . . . . 25.0 111.428 174.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 14.8 mt -117.23 -88.8 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 123.077 0.551 . . . . 25.0 111.078 -176.729 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.9 p90 -150.79 157.49 42.99 Favored 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 122.107 0.956 . . . . 25.0 112.46 178.252 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.1 t -158.41 158.23 33.8 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 100.566 -3.864 . . . . 25.0 100.566 171.707 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -148.85 17.52 0.99 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.723 0.773 . . . . 25.0 109.745 178.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -65.13 150.19 95.81 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 114.483 -1.235 . . . . 25.0 111.986 -174.713 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -77.18 172.89 15.28 Favored 'Trans proline' 0 C--N 1.349 0.589 0 N-CA-C 113.892 0.689 . . . . 25.0 113.892 -178.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -121.13 13.62 11.27 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.286 -0.87 . . . . 25.0 109.298 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 30.1 t0 72.61 120.07 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.432 1.893 . . . . 25.0 109.595 -171.638 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.22 -48.82 49.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.747 -1.115 . . . . 25.0 111.179 -174.585 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -85.52 -46.72 10.58 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 121.017 -0.273 . . . . 25.0 111.064 176.516 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.44 51.38 16.92 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.763 0.825 . . . . 25.0 111.297 -176.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 97.5 mm-40 -121.23 175.78 5.95 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.233 -0.894 . . . . 25.0 113.291 -176.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 64.02 -172.06 0.17 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 114.99 1.478 . . . . 25.0 114.99 173.496 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -156.52 159.07 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 105.98 -1.859 . . . . 25.0 105.98 -176.706 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 57.5 mt -93.44 105.62 17.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 105.748 -1.945 . . . . 25.0 105.748 176.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -120.16 144.42 47.69 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 107.983 -1.117 . . . . 25.0 107.983 178.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -140.37 153.76 46.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.446 0.641 . . . . 25.0 112.264 179.135 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -132.46 79.97 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.549 0.69 . . . . 25.0 110.313 179.416 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.2 mm -81.2 46.67 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 CA-C-O 122.129 0.966 . . . . 25.0 110.159 -177.498 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? -93.86 54.04 1.9 Allowed 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 122.359 1.076 . . . . 25.0 108.968 -179.824 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 . . . . . 0 N--CA 1.487 1.412 0 C-N-CA 126.418 1.887 . . . . 25.0 111.911 -175.592 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.503 2.186 0 CA-C-O 124.322 2.011 . . . . 25.0 115.712 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.2 mp0 -69.43 118.33 12.17 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 114.014 -1.448 . . . . 25.0 108.689 179.652 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -145.2 16.21 1.52 Allowed 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.256 -0.429 . . . . 25.0 112.071 -173.062 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 69.5 p -149.45 163.23 38.36 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.706 0.288 . . . . 25.0 110.789 -177.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -134.71 -179.96 5.92 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 107.162 -1.422 . . . . 25.0 107.162 179.415 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -74.47 -101.77 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 114.598 1.332 . . . . 25.0 114.598 -177.999 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 45.2 m -151.51 159.03 34.0 Favored Pre-proline 0 N--CA 1.466 0.365 0 O-C-N 121.495 -0.753 . . . . 25.0 110.125 -174.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -74.98 172.84 15.58 Favored 'Trans proline' 0 C--N 1.351 0.68 0 O-C-N 122.109 0.531 . . . . 25.0 112.324 176.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.35 -44.15 0.02 OUTLIER Glycine 0 C--O 1.219 -0.788 0 N-CA-C 116.433 1.333 . . . . 25.0 116.433 -179.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 53.19 34.54 17.75 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 122.037 0.922 . . . . 25.0 111.816 -174.828 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.24 7.4 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.734 0 C-N-CA 124.818 1.247 . . . . 25.0 113.189 179.348 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.5 p -89.46 -7.81 54.25 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 113.863 -1.517 . . . . 25.0 110.336 176.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.9 p -69.22 160.5 31.05 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.472 -0.786 . . . . 25.0 110.227 177.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.6 m 47.38 61.0 14.44 Favored Pre-proline 0 N--CA 1.477 0.879 0 N-CA-C 115.513 1.671 . . . . 25.0 115.513 -178.95 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 17' ' ' GLY . 89.5 Cg_endo -72.39 -9.8 24.69 Favored 'Trans proline' 0 CA--C 1.51 -0.68 0 N-CA-C 115.877 1.453 . . . . 25.0 115.877 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 67.87 -18.4 0.15 Allowed 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.734 1.614 . . . . 25.0 113.47 -177.88 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' H ' ' C ' ' A' ' 15' ' ' PRO . . . -65.98 -9.59 47.71 Favored Glycine 0 C--O 1.221 -0.674 0 N-CA-C 110.83 -0.908 . . . . 25.0 110.83 170.074 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.19 -36.87 81.03 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.099 0.476 . . . . 25.0 110.571 172.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -84.33 -26.62 28.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 122.208 1.004 . . . . 25.0 109.6 -178.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -117.97 80.84 15.16 Favored Pre-proline 0 C--O 1.239 0.528 0 CA-C-N 115.192 -0.913 . . . . 25.0 112.898 -179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.701 ' HB3' HD22 ' A' ' 61' ' ' LEU . 24.5 Cg_endo -59.79 -31.81 94.57 Favored 'Trans proline' 0 C--O 1.214 -0.692 0 O-C-N 121.655 0.292 . . . . 25.0 112.657 175.566 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.92 -45.7 93.61 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 122.388 -0.195 . . . . 25.0 111.18 -179.555 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 61.2 mt -75.07 -35.6 61.81 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-O 121.048 0.452 . . . . 25.0 110.443 -178.578 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.5 tp -68.78 -37.3 79.22 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 122.288 -0.258 . . . . 25.0 111.228 -178.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -61.32 -45.64 93.62 Favored 'General case' 0 C--O 1.215 -0.744 0 N-CA-C 106.361 -1.718 . . . . 25.0 106.361 179.379 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.93 -48.13 80.23 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.06 -1.427 . . . . 25.0 112.673 -179.215 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.9 tmm? -60.97 -49.1 78.8 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.306 0.574 . . . . 25.0 110.431 179.448 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mt -58.25 -41.15 83.57 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.402 -0.817 . . . . 25.0 112.774 -178.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 40.4 mt -63.42 -37.34 86.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.947 0.403 . . . . 25.0 110.341 179.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.21 -11.12 59.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.843 -0.617 . . . . 25.0 112.328 -179.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.8 t-20 -109.94 96.05 23.3 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 112.262 0.467 . . . . 25.0 112.262 -174.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -62.79 -29.53 76.96 Favored 'Trans proline' 0 CA--C 1.531 0.351 0 N-CA-C 115.165 1.179 . . . . 25.0 115.165 -175.366 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -76.01 -38.76 56.93 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.081 0.467 . . . . 25.0 112.149 180.0 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -74.82 -37.82 62.21 Favored 'General case' 0 C--O 1.207 -1.136 0 N-CA-C 107.383 -1.34 . . . . 25.0 107.383 -176.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.401 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -67.54 -31.87 72.26 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.399 -0.521 . . . . 25.0 112.207 179.467 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 90.6 p -74.66 -39.29 62.12 Favored 'General case' 0 C--O 1.215 -0.757 0 CA-C-O 121.123 0.487 . . . . 25.0 110.375 -178.311 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 pp -71.59 -33.8 69.36 Favored 'General case' 0 CA--C 1.479 -1.779 0 CA-C-O 121.682 0.753 . . . . 25.0 109.465 177.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HA ' ' HG2' ' A' ' 41' ' ' ARG . 51.6 tp -63.0 -42.81 99.95 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 113.477 0.917 . . . . 25.0 113.477 179.811 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.46 -26.18 66.26 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 119.896 -0.722 . . . . 25.0 111.544 175.302 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -77.5 -51.89 9.98 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.415 0.15 . . . . 25.0 110.864 176.681 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HG2' ' HA ' ' A' ' 38' ' ' LEU . 32.7 ptt180 -73.49 -38.2 65.46 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.364 1.616 . . . . 25.0 115.364 -179.372 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -136.97 73.16 53.17 Favored Pre-proline 0 C--N 1.316 -0.873 0 N-CA-C 114.391 1.256 . . . . 25.0 114.391 -173.473 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -55.51 -38.15 94.33 Favored 'Trans proline' 0 CA--C 1.555 1.567 0 N-CA-C 118.144 2.325 . . . . 25.0 118.144 179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.31 -30.96 23.52 Favored 'Trans proline' 0 C--N 1.362 1.266 1 C-N-CA 112.308 -4.661 . . . . 25.0 115.959 178.15 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 37.3 tp -73.98 -31.21 62.88 Favored 'General case' 0 N--CA 1.468 0.47 0 O-C-N 120.791 -1.193 . . . . 25.0 108.284 175.901 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 -48.14 73.99 Favored 'General case' 0 C--O 1.21 -1.001 0 CA-C-O 118.653 -0.689 . . . . 25.0 112.215 179.037 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -59.96 -31.85 70.27 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 119.454 1.024 . . . . 25.0 110.988 -177.66 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.571 ' HB1' ' HA ' ' A' ' 57' ' ' PHE . . . -58.22 -45.74 87.12 Favored 'General case' 0 N--CA 1.433 -1.316 0 CA-C-N 115.545 -0.752 . . . . 25.0 112.169 173.175 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 15.2 tp -66.29 -42.73 87.96 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.598 -0.728 . . . . 25.0 110.689 177.354 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 mt -63.37 -31.29 72.41 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-O 121.288 0.566 . . . . 25.0 111.055 -175.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.9 m -72.9 -23.34 60.7 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 115.583 -0.735 . . . . 25.0 111.863 -179.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.52 -20.18 19.77 Favored Glycine 0 C--O 1.235 0.197 0 CA-C-N 116.37 -0.377 . . . . 25.0 112.206 -178.248 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 46.5 t0 -62.64 113.78 3.2 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.78 0.432 . . . . 25.0 111.503 -179.373 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -64.74 -37.5 87.81 Favored 'General case' 0 C--O 1.215 -0.714 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 176.729 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -59.35 -53.34 59.37 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 121.982 -0.449 . . . . 25.0 110.556 -175.598 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 8.7 ptmt -63.97 -37.56 87.87 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 120.227 -0.589 . . . . 25.0 109.939 178.207 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.571 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 70.1 t80 -59.55 -51.44 69.84 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 118.66 0.664 . . . . 25.0 112.274 176.564 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.5 t -65.31 -40.0 93.21 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 178.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.53 -46.44 90.14 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 -178.75 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.1 t -71.49 -34.19 52.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.662 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.701 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.8 tp -54.4 -44.98 72.79 Favored 'General case' 0 N--CA 1.468 0.428 0 O-C-N 121.795 -0.566 . . . . 25.0 110.467 178.345 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.99 -42.67 95.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-O 120.823 0.344 . . . . 25.0 110.975 177.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -61.48 -38.09 86.03 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.844 -0.535 . . . . 25.0 110.783 179.11 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -71.48 -33.08 68.96 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 122.224 -0.298 . . . . 25.0 110.81 178.163 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -67.06 -38.91 86.65 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.719 -0.475 . . . . 25.0 109.719 175.048 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -64.28 -37.88 89.06 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.934 -0.395 . . . . 25.0 109.934 177.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -73.27 -36.95 66.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 C-N-CA 120.159 -0.616 . . . . 25.0 111.47 179.114 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.66 -42.89 89.44 Favored 'General case' 0 C--O 1.205 -1.258 0 N-CA-C 109.566 -0.531 . . . . 25.0 109.566 176.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.45 -37.02 67.2 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 112.072 0.397 . . . . 25.0 112.072 177.79 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 62.1 mtm-85 -72.55 -40.57 66.59 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 122.071 -0.393 . . . . 25.0 111.933 177.442 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.4 mtp85 -70.28 -29.87 66.74 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.638 0.732 . . . . 25.0 110.24 179.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.47 -31.08 71.04 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.84 -0.618 . . . . 25.0 110.721 -179.16 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -57.82 -39.05 76.68 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 116.505 -0.316 . . . . 25.0 111.187 179.154 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -80.12 -32.13 39.05 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 115.03 1.493 . . . . 25.0 115.03 171.649 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -64.64 -28.03 69.34 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.444 1.276 . . . . 25.0 114.444 -176.8 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.6 pt -59.93 -18.81 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 176.576 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -59.59 -18.18 39.02 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 119.695 -0.193 . . . . 25.0 111.044 175.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.516 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 23.3 tp 60.91 -170.59 0.15 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.951 1.3 . . . . 25.0 110.174 178.435 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.516 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 63.8 m-85 55.97 22.43 5.77 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 114.643 1.349 . . . . 25.0 114.643 -179.469 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 42.7 t -92.77 115.05 27.76 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 176.894 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -96.19 39.05 1.16 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.22 -0.9 . . . . 25.0 110.955 -177.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -72.82 143.68 84.73 Favored Pre-proline 0 C--N 1.325 -0.475 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 178.709 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -77.17 158.64 33.7 Favored 'Trans proline' 0 C--N 1.345 0.354 0 N-CA-C 114.444 0.902 . . . . 25.0 114.444 -172.559 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -132.84 13.81 4.36 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.36 -1.291 . . . . 25.0 109.682 -176.64 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.417 ' CG ' ' H ' ' A' ' 88' ' ' ALA . 49.4 t0 74.02 117.33 0.05 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 126.133 1.773 . . . . 25.0 110.678 -172.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 pp -75.35 -26.52 58.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.15 -0.932 . . . . 25.0 111.199 -178.734 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -80.61 -52.72 7.26 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.652 -1.24 . . . . 25.0 107.652 174.197 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.417 ' H ' ' CG ' ' A' ' 85' ' ' ASP . . . 48.38 30.45 2.33 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 113.962 -1.472 . . . . 25.0 111.752 -175.329 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -65.07 146.15 55.37 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.544 0.687 . . . . 25.0 111.139 -177.357 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -137.71 142.12 41.04 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.136 -1.061 . . . . 25.0 108.136 179.675 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -140.1 160.8 39.13 Favored 'General case' 0 CA--C 1.509 -0.617 0 N-CA-C 108.616 -0.883 . . . . 25.0 108.616 178.088 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 92.7 mt -134.96 120.37 30.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 N-CA-C 100.874 -3.751 . . . . 25.0 100.874 170.717 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -130.56 140.14 50.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.101 -0.703 . . . . 25.0 109.101 -174.266 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -131.34 156.83 44.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.979 0.418 . . . . 25.0 111.634 -175.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -131.78 79.89 1.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 106.938 -1.504 . . . . 25.0 106.938 172.628 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 29.1 mt -81.13 63.63 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 122.844 1.307 . . . . 25.0 107.991 -176.816 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -78.58 12.9 1.81 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.326 -1.306 . . . . 25.0 114.461 -174.875 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 38.9 tt0 . . . . . 0 C--O 1.21 -1.024 0 CA-C-O 124.099 1.904 . . . . 25.0 112.428 -177.606 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.6 m . . . . . 0 N--CA 1.484 1.231 0 CA-C-O 125.147 2.403 . . . . 25.0 113.465 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -57.45 -33.95 68.48 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 113.117 -1.856 . . . . 25.0 112.119 179.753 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 21.6 mm100 -98.72 -2.05 39.1 Favored 'General case' 0 C--O 1.218 -0.588 0 O-C-N 122.067 -0.396 . . . . 25.0 111.818 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 39.5 m -75.42 -34.3 61.01 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 110.014 -0.365 . . . . 25.0 110.014 -179.392 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -96.66 -39.86 9.29 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.245 -0.65 . . . . 25.0 109.245 177.298 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.5 -34.64 0.12 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 117.509 2.411 . . . . 25.0 117.509 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.9 p -152.29 154.05 31.67 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 118.534 0.606 . . . . 25.0 110.082 178.827 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.685 ' HA ' HD21 ' A' ' 31' ' ' ASN . 45.7 Cg_endo -80.17 175.36 10.41 Favored 'Trans proline' 0 C--N 1.349 0.6 0 O-C-N 121.876 0.408 . . . . 25.0 112.53 176.363 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.4 27.84 2.3 Favored Glycine 0 N--CA 1.462 0.42 0 N-CA-C 120.437 2.935 . . . . 25.0 120.437 170.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -99.36 31.23 3.19 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 118.54 1.17 . . . . 25.0 109.266 176.263 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.494 ' H ' HG13 ' A' ' 11' ' ' ILE . 2.4 mt -64.05 -11.52 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-O 122.9 1.333 . . . . 25.0 114.163 179.353 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 11.0 p -79.49 -62.62 1.63 Allowed 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 113.925 -1.489 . . . . 25.0 111.394 -176.047 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.8 p -171.88 151.18 2.73 Favored 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 109.252 -0.648 . . . . 25.0 109.252 -179.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.6 t -129.44 75.75 79.6 Favored Pre-proline 0 C--N 1.324 -0.508 0 N-CA-C 108.625 -0.88 . . . . 25.0 108.625 172.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -67.7 -30.51 34.36 Favored 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 116.728 -1.715 . . . . 25.0 112.879 -175.815 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -70.45 -25.65 63.29 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.099 0.476 . . . . 25.0 110.509 176.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.29 -22.39 76.08 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.826 -0.702 . . . . 25.0 112.05 178.874 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 88.0 mt -67.05 -41.41 86.52 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 117.085 0.443 . . . . 25.0 109.903 179.395 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -80.48 -31.65 37.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.205 -0.907 . . . . 25.0 109.928 -178.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -117.19 79.8 11.4 Favored Pre-proline 0 C--O 1.241 0.641 0 CA-C-N 115.725 -0.67 . . . . 25.0 112.023 178.418 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HB3' HD22 ' A' ' 61' ' ' LEU . 43.0 Cg_endo -63.96 -22.46 68.39 Favored 'Trans proline' 0 C--O 1.219 -0.445 0 N-CA-C 112.782 0.262 . . . . 25.0 112.782 176.635 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.52 -42.29 99.41 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.808 -0.442 . . . . 25.0 109.808 177.879 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 87.0 mt -78.01 -35.63 49.66 Favored 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 115.966 -0.561 . . . . 25.0 110.184 -179.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.2 tt -62.28 -45.4 93.43 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.205 -0.665 . . . . 25.0 109.205 178.362 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.9 ttp180 -58.38 -47.23 84.53 Favored 'General case' 0 C--O 1.213 -0.819 0 CA-C-N 116.07 -0.513 . . . . 25.0 109.886 177.736 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -62.36 -44.83 95.54 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.689 0.281 . . . . 25.0 111.59 -178.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 61.6 ttp -61.64 -47.32 85.92 Favored 'General case' 0 C--O 1.223 -0.333 0 CA-C-O 120.766 0.317 . . . . 25.0 110.246 179.204 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -61.4 -44.31 97.37 Favored 'General case' 0 C--O 1.217 -0.609 0 N-CA-C 113.074 0.768 . . . . 25.0 113.074 177.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.57 -34.88 77.85 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 109.562 -0.533 . . . . 25.0 109.562 -179.056 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.33 -29.38 61.57 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 112.96 0.726 . . . . 25.0 112.96 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.685 HD21 ' HA ' ' A' ' 8' ' ' PRO . 31.0 t-20 -106.57 105.9 56.03 Favored Pre-proline 0 C--N 1.329 -0.315 0 N-CA-C 112.856 0.688 . . . . 25.0 112.856 -167.393 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -67.5 -23.93 42.95 Favored 'Trans proline' 0 C--O 1.22 -0.377 0 N-CA-C 115.76 1.408 . . . . 25.0 115.76 -175.459 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.7 t60 -76.46 -44.71 34.43 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.212 1.006 . . . . 25.0 110.138 179.864 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.65 -33.33 68.81 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.496 -1.229 . . . . 25.0 110.247 -174.473 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.68 -27.88 60.59 Favored 'General case' 0 C--N 1.32 -0.7 0 O-C-N 121.891 -0.506 . . . . 25.0 110.26 177.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.2 t -73.87 -43.08 59.7 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 116.255 -0.43 . . . . 25.0 111.204 -177.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp -66.32 -29.46 69.66 Favored 'General case' 0 CA--C 1.495 -1.15 0 C-N-CA 119.518 -0.873 . . . . 25.0 109.81 178.894 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.6 tp -69.24 -43.24 74.41 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.122 -0.944 . . . . 25.0 112.105 -177.743 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -69.53 -26.77 64.68 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 120.19 -0.604 . . . . 25.0 111.588 175.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -73.64 -51.95 15.03 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.596 0.236 . . . . 25.0 111.066 176.135 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.6 mtt-85 -89.87 -28.05 19.5 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 117.186 2.291 . . . . 25.0 117.186 -174.89 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -134.86 71.35 70.0 Favored Pre-proline 0 N--CA 1.474 0.747 0 N-CA-C 112.945 0.72 . . . . 25.0 112.945 -177.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -55.51 -37.01 95.42 Favored 'Trans proline' 0 CA--C 1.554 1.478 0 N-CA-C 118.195 2.344 . . . . 25.0 118.195 -178.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.76 -30.23 27.76 Favored 'Trans proline' 0 C--N 1.363 1.318 1 C-N-CA 112.689 -4.407 . . . . 25.0 115.756 178.409 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.7 tp -75.46 -34.38 60.92 Favored 'General case' 0 C--O 1.235 0.296 0 O-C-N 121.073 -1.017 . . . . 25.0 108.462 175.241 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.7 -49.13 74.35 Favored 'General case' 0 C--O 1.211 -0.925 0 N-CA-C 112.909 0.707 . . . . 25.0 112.909 178.563 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.71 -31.0 69.2 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 118.863 0.756 . . . . 25.0 110.386 -178.837 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.24 -41.54 99.11 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.981 -0.554 . . . . 25.0 110.191 177.932 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 16.4 tp -67.22 -42.07 84.67 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.511 -0.768 . . . . 25.0 111.241 176.015 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.23 -33.5 75.63 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.54 0.686 . . . . 25.0 112.476 -172.432 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.415 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 71.6 m -73.3 -18.74 61.17 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.856 -0.611 . . . . 25.0 111.714 177.235 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.91 -16.32 32.87 Favored Glycine 0 C--O 1.238 0.373 0 CA-C-N 116.514 -0.312 . . . . 25.0 113.286 179.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.4 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -64.94 115.34 5.27 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.413 0.625 . . . . 25.0 111.961 -177.438 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -65.85 -34.55 78.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 178.102 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 24.0 mt-10 -55.37 -48.86 73.64 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.447 0.641 . . . . 25.0 110.877 -179.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 16.4 ptmt -75.22 -37.26 61.17 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 120.027 -0.669 . . . . 25.0 111.579 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.433 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 84.7 t80 -60.19 -48.32 82.21 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 118.674 0.67 . . . . 25.0 110.719 177.533 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 39.4 t -66.68 -42.62 86.25 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-O 120.898 0.38 . . . . 25.0 111.066 -178.666 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 tmm_? -63.56 -44.96 92.61 Favored 'General case' 0 C--O 1.217 -0.61 0 C-N-CA 120.259 -0.576 . . . . 25.0 110.775 -178.521 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.2 t -67.29 -34.03 66.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.66 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 179.094 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.566 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.0 tp -56.63 -45.07 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 O-C-N 122.088 -0.382 . . . . 25.0 110.835 176.257 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.58 -43.75 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.77 0.319 . . . . 25.0 110.196 179.399 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -62.18 -39.62 93.3 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.729 -0.388 . . . . 25.0 111.341 179.281 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -67.14 -40.43 86.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 122.006 -0.434 . . . . 25.0 110.182 177.631 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.6 mt-30 -63.06 -41.35 99.44 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.51 -0.552 . . . . 25.0 109.51 177.071 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -65.44 -44.62 86.74 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.91 0.337 . . . . 25.0 111.91 179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.31 -44.4 83.51 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 117.809 0.277 . . . . 25.0 110.694 -179.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -65.61 -33.07 75.04 Favored 'General case' 0 C--O 1.212 -0.897 0 C-N-CA 120.093 -0.643 . . . . 25.0 110.393 -177.682 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.09 -26.27 66.07 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 116.045 -0.525 . . . . 25.0 112.096 174.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.2 mmt85 -73.25 -41.12 64.05 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.928 -0.767 . . . . 25.0 108.928 176.138 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -70.02 -30.63 67.98 Favored 'General case' 0 C--O 1.211 -0.962 0 CA-C-O 121.334 0.587 . . . . 25.0 110.104 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.87 -36.91 73.01 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.141 -0.481 . . . . 25.0 110.611 -177.523 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -57.9 -42.97 85.78 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 112.414 0.524 . . . . 25.0 112.414 -178.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.36 -32.08 43.12 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 121.965 -0.459 . . . . 25.0 111.775 177.246 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.7 mtt-85 -67.66 -44.27 78.26 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 112.311 0.486 . . . . 25.0 112.311 -179.693 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.4 pt -72.3 -18.68 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 O-C-N 121.854 -0.529 . . . . 25.0 111.517 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -66.29 -24.76 66.61 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 108.47 -0.937 . . . . 25.0 108.47 177.15 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.425 ' HG ' ' H ' ' A' ' 79' ' ' PHE . 19.9 tp 60.46 179.9 0.1 Allowed 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.874 1.269 . . . . 25.0 110.797 178.552 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.425 ' H ' ' HG ' ' A' ' 78' ' ' LEU . 32.8 m-85 54.65 29.88 12.34 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 124.267 1.027 . . . . 25.0 113.264 -176.656 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.39 100.91 6.71 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 107.133 -1.432 . . . . 25.0 107.133 178.869 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.16 41.97 0.96 Allowed 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.92 -0.582 . . . . 25.0 109.516 179.332 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.24 156.6 76.29 Favored Pre-proline 0 C--N 1.318 -0.794 0 CA-C-N 115.212 -0.904 . . . . 25.0 112.753 -172.441 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.58 -163.17 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 121.758 1.639 . . . . 25.0 113.016 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 3.2 t80 65.89 33.78 7.69 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 122.702 1.239 . . . . 25.0 108.224 -177.694 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -87.97 32.79 0.73 Allowed 'General case' 0 C--O 1.215 -0.75 0 CA-C-N 113.867 -1.515 . . . . 25.0 111.337 178.493 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.0 pp -62.86 -26.28 68.69 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 121.3 0.571 . . . . 25.0 109.967 178.541 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -70.05 -23.98 63.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.093 -0.958 . . . . 25.0 111.519 176.207 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -89.42 -4.01 58.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.359 0.599 . . . . 25.0 111.353 -176.361 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -108.42 128.97 55.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.594 0.712 . . . . 25.0 111.998 -173.796 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -153.97 173.33 16.11 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 105.122 -2.177 . . . . 25.0 105.122 177.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -129.94 152.72 49.1 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 104.868 -2.271 . . . . 25.0 104.868 172.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 88.1 mt -127.23 117.22 46.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 103.819 -2.66 . . . . 25.0 103.819 179.112 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -129.55 134.9 48.0 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 107.578 -1.267 . . . . 25.0 107.578 -177.669 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -112.77 140.53 47.48 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 176.434 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -143.93 53.63 1.3 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 107.243 -1.392 . . . . 25.0 107.243 -176.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.7 pt 35.56 28.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 N-CA-C 120.729 3.603 . . . . 25.0 120.729 177.199 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 81.0 mtt85 -83.77 58.24 4.54 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 121.378 -0.826 . . . . 25.0 110.793 175.053 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 126.284 2.945 . . . . 25.0 114.698 178.114 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 t . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 124.391 2.043 . . . . 25.0 112.97 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -138.51 156.85 47.15 Favored 'General case' 0 C--O 1.224 -0.266 0 CA-C-N 113.622 -1.626 . . . . 25.0 108.997 179.119 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 56.94 17.94 3.62 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 114.146 1.165 . . . . 25.0 114.146 179.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 m -79.17 47.17 0.77 Allowed 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 123.429 0.691 . . . . 25.0 112.124 178.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -105.47 11.06 33.0 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 123.267 0.627 . . . . 25.0 110.937 -176.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.8 m -119.63 159.61 24.08 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.156 -0.683 . . . . 25.0 109.156 -179.364 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.6 m -148.05 -54.7 0.02 OUTLIER Pre-proline 0 C--O 1.216 -0.67 0 N-CA-C 109.46 -0.57 . . . . 25.0 109.46 176.143 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -80.31 169.13 17.69 Favored 'Trans proline' 0 C--N 1.358 1.076 0 C-N-CA 113.741 -3.706 . . . . 25.0 109.642 164.415 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.419 ' C ' ' H ' ' A' ' 11' ' ' ILE . . . 143.06 42.09 0.06 OUTLIER Glycine 0 C--N 1.319 -0.367 0 N-CA-C 110.843 -0.903 . . . . 25.0 110.843 -178.471 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -71.43 25.85 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 114.558 1.318 . . . . 25.0 114.558 -175.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.419 ' H ' ' C ' ' A' ' 9' ' ' GLY . 1.1 mt -105.76 3.98 10.32 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 CA-C-O 123.609 1.671 . . . . 25.0 107.275 179.419 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.9 t -57.85 151.39 18.06 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 113.075 -1.875 . . . . 25.0 115.387 -176.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.8 m -107.02 -147.97 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 106.706 -1.59 . . . . 25.0 106.706 173.334 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.3 m -109.05 56.28 0.26 Allowed Pre-proline 0 CA--C 1.547 0.828 0 N-CA-C 114.594 1.331 . . . . 25.0 114.594 176.615 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -72.0 -19.62 26.44 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 115.447 -2.569 . . . . 25.0 113.925 -176.822 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -61.38 0.92 0.24 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 115.83 1.789 . . . . 25.0 115.83 -178.171 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 85.05 26.68 36.32 Favored Glycine 0 C--O 1.225 -0.462 0 C-N-CA 120.39 -0.909 . . . . 25.0 112.457 178.292 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.9 mt -67.65 -36.88 81.59 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.521 -1.288 . . . . 25.0 107.521 177.041 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -84.64 -20.95 30.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 113.864 -1.516 . . . . 25.0 110.494 177.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -123.71 79.11 56.19 Favored Pre-proline 0 C--O 1.242 0.67 0 CA-C-N 115.947 -0.57 . . . . 25.0 112.274 -178.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.575 ' HB3' HD22 ' A' ' 61' ' ' LEU . 28.9 Cg_endo -59.5 -27.52 85.18 Favored 'Trans proline' 0 C--O 1.214 -0.678 0 C-N-CA 119.888 0.392 . . . . 25.0 112.713 176.803 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.63 -44.2 96.64 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 111.841 0.312 . . . . 25.0 111.841 -179.96 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.41 ' CD1' ' H ' ' A' ' 91' ' ' LYS . 78.2 mt -77.39 -37.01 52.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.945 -0.57 . . . . 25.0 110.529 -176.996 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.59 -39.17 88.29 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.457 -0.572 . . . . 25.0 109.457 179.001 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -58.06 -44.51 87.51 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 109.43 -0.581 . . . . 25.0 109.43 175.429 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -64.32 -46.8 81.97 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.957 0.408 . . . . 25.0 111.398 -179.456 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.0 tmm? -59.61 -49.84 76.19 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.505 0.669 . . . . 25.0 110.612 179.945 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.1 mt -61.86 -42.85 99.55 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.39 -0.823 . . . . 25.0 112.417 -178.303 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.3 -37.99 89.4 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.097 0.475 . . . . 25.0 110.479 179.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.64 -18.98 56.19 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.596 -0.729 . . . . 25.0 112.264 -178.226 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -104.3 104.11 42.58 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 112.496 0.554 . . . . 25.0 112.496 -173.686 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 64.4 Cg_endo -67.18 -26.61 42.27 Favored 'Trans proline' 0 CA--C 1.532 0.425 0 N-CA-C 115.686 1.379 . . . . 25.0 115.686 -175.6 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -76.15 -44.02 40.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.855 0.835 . . . . 25.0 110.091 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.55 -37.63 71.08 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.193 -0.912 . . . . 25.0 109.807 -173.916 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.69 -30.41 71.09 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.891 -0.506 . . . . 25.0 110.616 176.98 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.1 t -74.67 -40.39 61.45 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 123.476 0.711 . . . . 25.0 110.734 -178.983 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.09 -33.8 74.11 Favored 'General case' 0 CA--C 1.483 -1.603 0 N-CA-C 108.244 -1.021 . . . . 25.0 108.244 177.756 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.2 tp -62.67 -45.16 94.08 Favored 'General case' 0 C--N 1.309 -1.173 0 CA-C-N 115.296 -0.865 . . . . 25.0 112.608 -178.836 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -66.98 -26.49 66.83 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.798 0.666 . . . . 25.0 112.798 175.605 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -82.14 -50.45 9.03 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-O 121.119 0.485 . . . . 25.0 111.612 178.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -78.75 -34.31 45.84 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.563 1.32 . . . . 25.0 114.563 -178.664 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -139.01 66.53 39.49 Favored Pre-proline 0 N--CA 1.473 0.686 0 N-CA-C 113.743 1.016 . . . . 25.0 113.743 -174.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -54.26 -34.7 80.76 Favored 'Trans proline' 0 CA--C 1.551 1.354 0 N-CA-C 118.67 2.527 . . . . 25.0 118.67 -178.194 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.34 -32.15 26.73 Favored 'Trans proline' 0 C--N 1.363 1.314 1 C-N-CA 112.62 -4.453 . . . . 25.0 115.407 178.307 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.0 tp -75.3 -34.12 61.26 Favored 'General case' 0 CA--C 1.516 -0.362 0 O-C-N 121.001 -1.062 . . . . 25.0 108.263 176.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.88 -49.34 77.87 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 178.22 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.01 -31.52 71.13 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 118.944 0.793 . . . . 25.0 110.813 -177.429 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.4 -40.89 98.45 Favored 'General case' 0 N--CA 1.435 -1.178 0 CA-C-N 115.581 -0.736 . . . . 25.0 110.837 176.431 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.56 -42.82 86.5 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.09 -0.504 . . . . 25.0 110.566 177.228 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.5 mt -63.59 -27.66 69.4 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.078 0.466 . . . . 25.0 111.5 -174.662 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 40.0 m -76.5 -22.72 54.1 Favored 'General case' 0 N--CA 1.444 -0.772 0 N-CA-C 112.839 0.681 . . . . 25.0 112.839 -177.46 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.9 -25.75 6.53 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.471 -0.395 . . . . 25.0 112.526 -176.382 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -57.42 102.26 0.09 Allowed 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 124.864 1.266 . . . . 25.0 112.326 177.942 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -62.58 -34.04 76.18 Favored 'General case' 0 C--O 1.214 -0.767 0 N-CA-C 108.705 -0.85 . . . . 25.0 108.705 177.707 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -54.37 -50.8 66.65 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.032 0.444 . . . . 25.0 111.404 179.452 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 17.6 ptmt -73.38 -35.62 65.94 Favored 'General case' 0 C--O 1.215 -0.751 0 C-N-CA 120.152 -0.619 . . . . 25.0 110.172 179.925 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.453 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 74.9 t80 -59.81 -50.67 72.92 Favored 'General case' 0 C--O 1.215 -0.731 0 C-N-CA 120.236 -0.586 . . . . 25.0 111.112 177.477 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 41.4 t -64.72 -39.74 94.15 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.937 0.717 . . . . 25.0 112.937 178.344 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -60.11 -50.16 74.78 Favored 'General case' 0 C--O 1.221 -0.409 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 178.175 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 64.2 t -68.0 -34.15 65.32 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -177.278 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.6 tp -57.06 -47.68 80.37 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 122.092 -0.38 . . . . 25.0 111.41 178.127 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.3 p -75.37 -34.72 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 120.526 -0.47 . . . . 25.0 111.264 -179.324 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -60.91 -41.99 97.21 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 109.24 -0.652 . . . . 25.0 109.24 175.612 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -66.63 -46.83 74.54 Favored 'General case' 0 C--O 1.207 -1.142 0 CA-C-O 118.941 -0.552 . . . . 25.0 109.694 176.864 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -56.54 -37.28 70.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 118.945 0.793 . . . . 25.0 111.951 -177.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -61.85 -37.77 85.72 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 122.188 -0.32 . . . . 25.0 111.696 177.188 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -76.26 -43.65 40.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.451 0.643 . . . . 25.0 111.548 176.735 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.7 mmt180 -62.45 -40.97 98.33 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-N 115.725 -0.67 . . . . 25.0 109.396 -174.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.18 -36.35 65.79 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 112.545 0.572 . . . . 25.0 112.545 178.458 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.4 mtm180 -68.17 -39.12 82.64 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.378 0.609 . . . . 25.0 111.314 179.536 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 42.5 mtp180 -80.79 -28.53 36.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 122.379 1.085 . . . . 25.0 110.019 -177.074 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -64.98 -25.72 67.99 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.261 -1.336 . . . . 25.0 112.767 179.121 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.0 mm-40 -51.22 -37.84 49.11 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.768 0.318 . . . . 25.0 110.759 174.401 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -75.16 -31.26 60.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 121.736 -0.603 . . . . 25.0 112.618 175.702 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 31.5 mtp-105 -68.66 -39.61 80.59 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.816 -0.553 . . . . 25.0 111.543 179.231 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.4 pt -71.1 -18.85 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.639 0 CA-C-O 121.035 0.445 . . . . 25.0 110.363 177.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -70.79 -9.9 58.41 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.536 -0.302 . . . . 25.0 110.335 173.561 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tp -117.42 -169.42 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 123.641 0.776 . . . . 25.0 109.333 -178.398 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -126.9 165.99 18.33 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 -177.083 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 24.7 m 53.71 46.22 26.35 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-O 122.03 0.919 . . . . 25.0 110.342 -177.491 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.81 16.84 21.76 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.732 -1.122 . . . . 25.0 109.934 -177.387 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -107.12 153.83 40.79 Favored Pre-proline 0 C--N 1.313 -1.002 0 CA-C-N 114.464 -1.244 . . . . 25.0 111.449 -175.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -83.52 162.28 14.68 Favored 'Trans proline' 0 C--N 1.347 0.473 0 CA-C-O 121.28 0.45 . . . . 25.0 112.879 178.128 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -93.71 10.18 33.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 122.132 0.968 . . . . 25.0 110.181 176.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -82.87 33.88 0.44 Allowed 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.886 -1.052 . . . . 25.0 112.481 -175.155 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.4 pp -66.67 -23.06 66.09 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.834 0.826 . . . . 25.0 109.651 178.15 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -80.9 -22.56 39.65 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.57 -1.195 . . . . 25.0 111.647 178.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -84.86 45.17 1.13 Allowed 'General case' 0 C--O 1.221 -0.431 0 C-N-CA 123.297 0.639 . . . . 25.0 111.16 -175.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -59.5 130.98 49.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.96 0.886 . . . . 25.0 112.261 -175.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.23 163.97 27.35 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 114.797 -1.092 . . . . 25.0 112.784 -175.568 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' H ' ' CD1' ' A' ' 23' ' ' LEU . 90.6 mttt -122.2 172.93 7.92 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.133 -0.94 . . . . 25.0 109.149 178.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 30.9 mt -102.21 69.02 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 107.374 -1.343 . . . . 25.0 107.374 172.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -130.95 157.19 43.61 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.232 -0.895 . . . . 25.0 109.242 -179.304 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.17 157.11 39.81 Favored 'General case' 0 C--O 1.239 0.502 0 N-CA-C 109.113 -0.699 . . . . 25.0 109.113 -179.181 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -142.19 84.4 1.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 122.302 1.049 . . . . 25.0 110.904 179.38 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 9.4 pt -126.59 44.37 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 106.3 -1.741 . . . . 25.0 106.3 175.608 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -83.2 57.57 4.02 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.411 -0.813 . . . . 25.0 111.859 -173.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 . . . . . 0 N--CA 1.476 0.862 0 CA-C-O 126.461 3.029 . . . . 25.0 111.376 -178.124 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 1 N--CA 1.542 4.142 0 CA-C-O 123.47 1.605 . . . . 25.0 113.5 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 59.06 -155.2 0.36 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 112.95 -1.932 . . . . 25.0 109.336 -178.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 -103.59 144.73 31.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 121.793 -0.567 . . . . 25.0 110.538 -175.42 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.9 t -76.68 138.9 40.3 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.661 -1.237 . . . . 25.0 107.661 175.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -121.37 24.97 9.7 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.639 -0.874 . . . . 25.0 108.639 -179.466 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 m -152.99 176.79 11.49 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.082 -1.451 . . . . 25.0 107.082 -177.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.1 m -120.44 73.36 21.6 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.584 0.231 . . . . 25.0 111.363 176.436 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.24 -177.37 3.64 Favored 'Trans proline' 0 C--N 1.347 0.498 0 N-CA-C 111.166 -0.359 . . . . 25.0 111.166 178.292 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.45 42.59 1.98 Allowed Glycine 0 CA--C 1.524 0.604 0 C-N-CA 121.613 -0.327 . . . . 25.0 113.848 178.576 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.3 pt-20 -83.28 29.27 0.5 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.839 0.828 . . . . 25.0 111.907 -178.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.6 mm -65.31 -18.08 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.577 0 CA-C-O 123.895 1.807 . . . . 25.0 112.98 -176.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 36.6 p -126.74 80.51 1.94 Allowed 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 111.609 -2.541 . . . . 25.0 109.491 175.505 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 82.6 p -159.55 173.89 15.46 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 107.392 -1.336 . . . . 25.0 107.392 -179.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 m -120.4 76.05 25.07 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 123.245 0.34 . . . . 25.0 110.738 177.504 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 94.5 Cg_endo -71.94 -12.32 28.28 Favored 'Trans proline' 0 CA--C 1.512 -0.599 0 N-CA-C 113.912 0.697 . . . . 25.0 113.912 -176.403 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -69.92 -6.19 31.24 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.102 -0.954 . . . . 25.0 111.109 173.569 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 70.68 21.25 77.81 Favored Glycine 0 C--O 1.225 -0.411 0 N-CA-C 111.542 -0.623 . . . . 25.0 111.542 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.0 pp -67.93 -33.66 75.11 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.757 0.651 . . . . 25.0 112.757 -175.087 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -85.22 -13.86 48.6 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.826 0.822 . . . . 25.0 109.829 178.315 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -129.06 73.53 81.69 Favored Pre-proline 0 N--CA 1.447 -0.616 0 CA-C-N 115.796 -0.638 . . . . 25.0 112.336 -176.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.659 ' HB3' HD22 ' A' ' 61' ' ' LEU . 35.6 Cg_endo -60.43 -27.73 85.4 Favored 'Trans proline' 0 C--O 1.218 -0.49 0 O-C-N 121.736 0.335 . . . . 25.0 112.663 176.384 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -42.95 99.82 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.044 -0.41 . . . . 25.0 110.7 178.267 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.5 mt -76.96 -33.15 57.67 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 116.411 -0.358 . . . . 25.0 110.409 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tt -64.8 -48.1 75.66 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.422 -0.584 . . . . 25.0 109.422 178.726 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -57.63 -41.99 82.48 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.009 -0.737 . . . . 25.0 109.009 177.376 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.11 -44.92 87.22 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.878 0.371 . . . . 25.0 111.798 -179.978 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 65.8 ttp -63.16 -43.45 98.25 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 116.562 -0.29 . . . . 25.0 110.355 178.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.1 mt -60.7 -44.16 96.91 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.498 0.555 . . . . 25.0 112.498 177.76 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 48.0 mt -63.58 -34.63 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 25.0 109.947 -179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.24 -10.94 59.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.784 -0.644 . . . . 25.0 112.471 178.54 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -118.1 99.04 51.87 Favored Pre-proline 0 C--N 1.328 -0.327 0 N-CA-C 112.71 0.633 . . . . 25.0 112.71 -175.346 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -65.1 -25.61 58.33 Favored 'Trans proline' 0 CA--C 1.533 0.461 0 N-CA-C 115.362 1.255 . . . . 25.0 115.362 -176.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -76.18 -40.88 51.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.73 0.776 . . . . 25.0 110.707 178.911 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -74.66 -37.47 62.7 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.695 0.759 . . . . 25.0 109.083 -174.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.03 -30.2 70.69 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 121.704 -0.623 . . . . 25.0 110.243 176.521 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -74.82 -42.6 57.73 Favored 'General case' 0 C--O 1.218 -0.583 0 CA-C-N 116.309 -0.405 . . . . 25.0 110.965 -179.46 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.8 pp -66.04 -30.09 70.56 Favored 'General case' 0 CA--C 1.483 -1.598 0 CA-C-O 122.281 1.039 . . . . 25.0 109.713 178.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 31.3 tp -66.33 -44.37 83.55 Favored 'General case' 0 N--CA 1.426 -1.655 0 CA-C-N 114.497 -1.229 . . . . 25.0 111.794 -179.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.4 ptpt -73.19 -26.17 61.06 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 119.83 -0.748 . . . . 25.0 112.01 173.517 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -69.09 -46.82 66.8 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.133 0.492 . . . . 25.0 110.615 177.128 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.3 mtm-85 -106.17 -23.99 12.45 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 117.941 2.571 . . . . 25.0 117.941 -173.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -134.14 67.5 73.29 Favored Pre-proline 0 N--CA 1.475 0.809 0 N-CA-C 112.952 0.723 . . . . 25.0 112.952 -178.197 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -54.89 -34.52 86.13 Favored 'Trans proline' 0 CA--C 1.549 1.26 0 N-CA-C 118.632 2.512 . . . . 25.0 118.632 -177.628 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -67.59 -34.01 26.84 Favored 'Trans proline' 0 C--N 1.361 1.221 1 C-N-CA 112.698 -4.401 . . . . 25.0 115.149 177.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.2 tp -75.59 -31.7 60.05 Favored 'General case' 0 C--N 1.331 -0.236 0 O-C-N 121.025 -1.047 . . . . 25.0 108.359 176.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.23 -49.34 76.12 Favored 'General case' 0 C--O 1.216 -0.701 0 N-CA-C 112.91 0.707 . . . . 25.0 112.91 177.708 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -60.13 -31.35 69.99 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.781 0.719 . . . . 25.0 110.525 -178.029 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.36 -42.07 99.11 Favored 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 115.368 -0.833 . . . . 25.0 111.596 176.813 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.8 tp -67.13 -42.91 83.65 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.122 -0.49 . . . . 25.0 110.459 175.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.0 mt -64.19 -33.17 75.18 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.191 0.519 . . . . 25.0 110.935 -174.703 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.5 m -72.09 -24.02 61.43 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.614 -0.721 . . . . 25.0 111.541 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 85.81 -22.06 12.88 Favored Glycine 0 C--O 1.237 0.289 0 C-N-CA 121.485 -0.388 . . . . 25.0 112.706 -179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.417 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -62.79 108.57 1.21 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.362 0.601 . . . . 25.0 111.189 -179.411 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.68 -34.38 77.0 Favored 'General case' 0 C--O 1.213 -0.86 0 N-CA-C 107.242 -1.392 . . . . 25.0 107.242 178.103 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -56.05 -51.9 66.18 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.019 0.438 . . . . 25.0 110.556 -179.647 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 14.5 ptmt -69.44 -37.35 77.34 Favored 'General case' 0 C--O 1.22 -0.497 0 C-N-CA 119.647 -0.821 . . . . 25.0 111.434 178.947 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.512 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 73.0 t80 -58.67 -50.21 74.69 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 118.573 0.624 . . . . 25.0 110.953 175.746 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.4 t -64.31 -42.57 96.28 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.88 0.696 . . . . 25.0 112.88 179.561 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -61.57 -48.37 81.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 121.909 -0.495 . . . . 25.0 110.044 179.537 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.95 -34.1 67.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 -178.577 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.659 HD22 ' HB3' ' A' ' 21' ' ' PRO . 5.6 tp -53.09 -45.17 68.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.095 -0.378 . . . . 25.0 111.148 177.551 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 57.9 t -68.81 -42.92 82.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.754 0.311 . . . . 25.0 110.188 179.913 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -61.2 -44.2 97.66 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.997 0.427 . . . . 25.0 110.662 -178.044 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -69.73 -32.55 71.16 Favored 'General case' 0 C--O 1.217 -0.62 0 O-C-N 122.006 -0.434 . . . . 25.0 110.452 179.025 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -65.34 -38.79 91.2 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.622 -0.674 . . . . 25.0 109.878 175.441 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -65.54 -39.35 91.66 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.642 -0.423 . . . . 25.0 110.484 178.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -74.83 -41.01 60.7 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.136 -0.626 . . . . 25.0 112.326 179.709 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.8 ptt85 -59.93 -36.18 76.48 Favored 'General case' 0 C--O 1.207 -1.174 0 N-CA-C 109.591 -0.522 . . . . 25.0 109.591 -178.287 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.81 -30.99 66.15 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.015 -0.538 . . . . 25.0 112.329 176.193 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 mmt180 -74.39 -42.33 59.45 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 108.944 -0.762 . . . . 25.0 108.944 177.83 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -71.45 -32.82 68.77 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 120.961 0.41 . . . . 25.0 110.731 -177.412 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -57.01 -34.08 67.8 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-N 115.789 -0.642 . . . . 25.0 112.352 -173.867 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -58.22 -35.77 72.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.444 -0.344 . . . . 25.0 110.768 179.566 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -79.92 -39.57 30.05 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 172.145 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 3.4 mtp-105 -67.36 -29.22 68.7 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 114.121 1.156 . . . . 25.0 114.121 -174.124 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.1 pt -65.08 -18.69 24.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 176.703 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -65.48 -17.08 64.28 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 110.346 -0.242 . . . . 25.0 110.346 176.307 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 22.0 tp 61.57 177.41 0.12 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.414 1.486 . . . . 25.0 111.775 177.339 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 55.83 22.5 5.64 Favored 'General case' 0 CA--C 1.529 0.138 0 N-CA-C 114.394 1.257 . . . . 25.0 114.394 -178.683 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.9 t -101.67 116.06 31.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.91 -1.041 . . . . 25.0 108.287 -179.208 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -100.06 46.62 0.96 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.842 -1.072 . . . . 25.0 109.359 179.231 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -67.26 136.55 93.73 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-N 116.15 -0.477 . . . . 25.0 111.003 -178.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -78.31 168.47 21.57 Favored 'Trans proline' 0 C--N 1.354 0.841 0 C-N-CA 121.919 1.746 . . . . 25.0 114.141 -177.091 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 35.0 p90 -127.95 -7.17 5.51 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 123.157 1.456 . . . . 25.0 112.539 179.45 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -86.75 45.78 1.29 Allowed 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 112.643 -2.072 . . . . 25.0 109.864 -173.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.3 pp -74.3 -32.43 62.86 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.309 -0.86 . . . . 25.0 108.686 176.446 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.57 -41.38 16.5 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 116.061 -0.518 . . . . 25.0 111.085 175.537 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 43.68 53.61 5.89 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 114.94 1.459 . . . . 25.0 114.94 177.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 93.4 mm-40 -96.13 168.8 10.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.782 -0.645 . . . . 25.0 111.187 179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -128.12 140.44 51.93 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 108.895 -0.779 . . . . 25.0 108.895 178.013 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 44.9 pttt -80.0 156.36 27.21 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.874 0.368 . . . . 25.0 110.977 -179.825 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -135.88 93.92 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 178.03 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 53.32 174.7 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 117.405 2.372 . . . . 25.0 117.405 -179.158 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -155.73 131.02 9.5 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.281 -0.418 . . . . 25.0 109.988 -178.852 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -142.92 80.41 1.69 Allowed 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.996 0.903 . . . . 25.0 109.475 172.7 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.3 pt -87.92 35.93 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.641 0.734 . . . . 25.0 111.486 -178.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -82.75 48.84 1.39 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 122.516 1.151 . . . . 25.0 110.915 179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.101 0 CA-C-O 124.773 2.225 . . . . 25.0 111.269 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 123.447 1.594 . . . . 25.0 114.66 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -153.22 163.19 40.33 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 114.729 -1.123 . . . . 25.0 108.511 -178.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.5 mm100 65.16 -45.5 0.35 Allowed 'General case' 0 N--CA 1.481 1.103 0 N-CA-C 116.918 2.192 . . . . 25.0 116.918 179.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.3 m -153.14 171.46 18.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 118.617 0.644 . . . . 25.0 111.562 -176.405 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -113.69 -147.37 0.42 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 105.191 -2.151 . . . . 25.0 105.191 172.586 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -120.09 161.83 20.33 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 177.352 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.9 m -145.89 136.28 12.11 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 104.071 -2.566 . . . . 25.0 104.071 175.262 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -78.62 166.92 23.28 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 116.096 -2.136 . . . . 25.0 113.635 -174.252 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -150.81 58.48 0.44 Allowed Glycine 0 C--O 1.218 -0.888 0 CA-C-N 114.881 -1.054 . . . . 25.0 111.375 -178.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.4 mp0 -73.99 35.65 0.09 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.437 0.903 . . . . 25.0 113.437 -178.246 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.45 -13.42 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-O 123.574 1.654 . . . . 25.0 109.342 -175.514 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.52 100.22 0.25 Allowed 'General case' 0 C--N 1.308 -1.217 0 CA-C-N 111.949 -2.387 . . . . 25.0 111.361 -179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.3 p -152.7 -179.42 7.6 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 106.59 -1.633 . . . . 25.0 106.59 -176.099 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 6.0 m 3.61 75.67 0.04 OUTLIER Pre-proline 0 N--CA 1.482 1.136 0 N-CA-C 118.399 2.741 . . . . 25.0 118.399 178.39 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 90.8 Cg_endo -77.04 -4.08 14.47 Favored 'Trans proline' 0 CA--C 1.514 -0.503 0 N-CA-C 115.088 1.149 . . . . 25.0 115.088 -176.262 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 70.88 -28.87 0.18 Allowed 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 126.51 1.924 . . . . 25.0 113.652 -176.172 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.0 -27.96 72.1 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 121.042 -0.599 . . . . 25.0 112.838 176.418 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.581 ' HA ' HD21 ' A' ' 61' ' ' LEU . 1.5 pp -92.66 -28.54 16.61 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 117.371 0.585 . . . . 25.0 110.772 177.562 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -78.34 -29.5 47.63 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 122.002 0.906 . . . . 25.0 109.978 -174.917 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -129.06 76.64 78.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 108.272 -1.01 . . . . 25.0 108.272 174.674 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB3' HD22 ' A' ' 61' ' ' LEU . 72.2 Cg_endo -70.28 -24.34 27.4 Favored 'Trans proline' 0 C--O 1.215 -0.668 0 N-CA-C 113.019 0.354 . . . . 25.0 113.019 -177.202 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.45 -40.26 93.03 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.438 -0.579 . . . . 25.0 109.438 177.051 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 73.6 mt -69.82 -39.64 76.38 Favored 'General case' 0 C--O 1.221 -0.433 0 N-CA-C 109.824 -0.436 . . . . 25.0 109.824 179.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.4 tp -64.96 -44.09 90.53 Favored 'General case' 0 C--O 1.222 -0.378 0 C-N-CA 120.445 -0.502 . . . . 25.0 110.426 178.036 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -56.53 -45.03 81.34 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 176.256 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -43.17 90.66 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 112.228 0.455 . . . . 25.0 112.228 -177.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -60.0 -48.56 81.2 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-O 121.415 0.626 . . . . 25.0 109.421 177.476 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.5 mt -60.74 -42.25 96.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.381 -0.827 . . . . 25.0 111.913 -179.306 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.54 -37.27 85.47 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.102 0.477 . . . . 25.0 110.537 179.455 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.55 -14.86 57.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.81 -0.632 . . . . 25.0 112.654 -179.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -108.39 99.98 35.41 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 112.298 0.481 . . . . 25.0 112.298 -173.764 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -65.57 -25.37 55.01 Favored 'Trans proline' 0 CA--C 1.532 0.402 0 N-CA-C 115.234 1.205 . . . . 25.0 115.234 -176.564 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -76.08 -43.1 45.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.466 0.65 . . . . 25.0 111.026 178.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -74.38 -39.49 62.67 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.599 . . . . 25.0 109.462 -174.754 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.99 -29.28 70.15 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 121.752 -0.593 . . . . 25.0 110.419 176.404 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.5 t -74.67 -42.23 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 123.068 0.547 . . . . 25.0 111.336 179.852 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pp -67.42 -32.5 73.43 Favored 'General case' 0 CA--C 1.481 -1.701 0 O-C-N 121.527 -0.733 . . . . 25.0 109.142 177.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 29.8 tp -64.92 -45.15 87.06 Favored 'General case' 0 N--CA 1.429 -1.501 0 CA-C-N 115.095 -0.957 . . . . 25.0 112.016 -179.249 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -68.51 -27.85 66.48 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 119.884 -0.726 . . . . 25.0 112.268 174.846 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.1 -48.23 31.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.244 0.545 . . . . 25.0 111.807 177.279 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.5 mmp_? -93.26 -32.72 14.23 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 115.837 1.791 . . . . 25.0 115.837 -175.307 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -131.07 67.62 80.97 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 112.991 0.738 . . . . 25.0 112.991 -179.574 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -55.32 -35.23 91.05 Favored 'Trans proline' 0 CA--C 1.549 1.273 0 N-CA-C 118.16 2.331 . . . . 25.0 118.16 -179.059 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -69.4 -28.54 26.88 Favored 'Trans proline' 0 C--N 1.362 1.278 1 C-N-CA 112.395 -4.603 . . . . 25.0 115.648 177.909 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.5 tp -75.51 -35.13 60.83 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 120.711 -1.243 . . . . 25.0 108.305 174.213 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.76 -47.99 81.1 Favored 'General case' 0 C--O 1.21 -1.025 0 CA-C-N 115.687 -0.688 . . . . 25.0 112.816 179.858 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.67 -31.47 70.72 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.832 0.742 . . . . 25.0 110.619 -176.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.54 -38.36 86.97 Favored 'General case' 0 N--CA 1.441 -0.913 0 CA-C-N 116.132 -0.486 . . . . 25.0 111.031 176.603 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.39 -42.86 82.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.24 178.335 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.4 mt -62.99 -28.86 70.38 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.763 0.792 . . . . 25.0 110.049 -176.354 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.3 t -79.68 -14.95 58.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.818 -1.083 . . . . 25.0 112.513 -177.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 83.73 -30.58 3.47 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 114.648 0.619 . . . . 25.0 114.648 178.042 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.77 109.56 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.268 0.556 . . . . 25.0 112.447 -178.742 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.8 -33.86 76.08 Favored 'General case' 0 C--O 1.207 -1.175 0 N-CA-C 106.726 -1.583 . . . . 25.0 106.726 176.205 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.62 -54.29 39.66 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.069 0.461 . . . . 25.0 111.795 179.243 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -73.37 -32.84 64.74 Favored 'General case' 0 CA--C 1.509 -0.624 0 C-N-CA 120.528 -0.469 . . . . 25.0 110.242 -177.909 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -63.01 -51.71 65.77 Favored 'General case' 0 C--O 1.213 -0.826 0 O-C-N 123.116 0.26 . . . . 25.0 110.604 177.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.1 t -65.0 -40.79 95.46 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.916 0.389 . . . . 25.0 110.087 -178.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.31 -49.85 72.35 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.278 -0.569 . . . . 25.0 111.231 -178.821 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.4 p -68.5 -29.38 43.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.321 -0.622 . . . . 25.0 109.321 -178.423 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.581 HD21 ' HA ' ' A' ' 18' ' ' LEU . 1.3 tp -60.24 -41.45 93.19 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 176.476 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 95.6 t -71.13 -37.13 65.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 122.395 -0.19 . . . . 25.0 110.797 178.3 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -58.06 -41.17 82.75 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 174.659 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -69.2 -34.01 74.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 119.162 -0.447 . . . . 25.0 111.552 176.459 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 74.6 mm-40 -63.06 -40.57 98.08 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 119.079 0.854 . . . . 25.0 110.348 176.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -63.3 -39.97 96.06 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.73 -0.47 . . . . 25.0 109.73 -179.7 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -78.1 -40.41 38.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.019 0.748 . . . . 25.0 113.019 -175.64 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.0 ppt_? -63.85 -42.16 97.62 Favored 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 120.355 -0.538 . . . . 25.0 110.056 -179.001 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.82 59.59 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 123.94 0.775 . . . . 25.0 113.003 179.698 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -66.15 -48.85 69.43 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 121.026 0.441 . . . . 25.0 111.763 -179.566 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.2 ptt-85 -77.46 -26.51 51.52 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.466 0.651 . . . . 25.0 110.675 -179.744 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -59.77 -30.89 69.18 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.358 -0.837 . . . . 25.0 112.646 -179.321 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -54.37 -38.78 66.51 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.92 0.39 . . . . 25.0 111.149 178.796 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mm-40 -79.34 -31.3 43.02 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.326 0.491 . . . . 25.0 112.326 177.061 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 73.3 mtp180 -66.72 -47.68 71.58 Favored 'General case' 0 C--O 1.217 -0.641 0 O-C-N 122.09 -0.381 . . . . 25.0 111.916 -178.677 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 25.3 pt -60.76 -18.41 17.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 N-CA-C 113.748 1.018 . . . . 25.0 113.748 -174.66 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 60.2 mtt-85 -65.33 -17.12 64.27 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 178.199 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 tt -146.91 -42.59 0.18 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.822 0.82 . . . . 25.0 112.563 -177.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -106.25 -171.74 1.95 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.423 -0.808 . . . . 25.0 110.199 -175.811 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 68.6 m 60.13 37.47 20.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.925 1.824 . . . . 25.0 115.925 171.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.89 39.77 0.5 Allowed 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 170.391 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -79.16 145.82 65.8 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.703 -0.68 . . . . 25.0 110.034 -172.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.49 171.51 17.92 Favored 'Trans proline' 0 C--N 1.349 0.563 0 N-CA-C 114.64 0.977 . . . . 25.0 114.64 -177.151 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 44.1 p90 -117.27 9.16 13.35 Favored 'General case' 0 C--O 1.215 -0.72 0 CA-C-N 115.662 -0.699 . . . . 25.0 111.169 -178.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.401 ' CG ' ' H ' ' A' ' 88' ' ' ALA . 47.0 t0 62.15 108.97 0.02 OUTLIER 'General case' 0 C--O 1.217 -0.652 0 C-N-CA 125.206 1.402 . . . . 25.0 112.139 -173.356 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.49 -29.04 69.06 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.872 -1.058 . . . . 25.0 111.976 179.725 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -80.89 -49.58 10.84 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 109.283 -0.636 . . . . 25.0 109.283 176.21 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.401 ' H ' ' CG ' ' A' ' 85' ' ' ASP . . . 42.7 46.7 4.46 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 122.544 1.164 . . . . 25.0 111.369 -176.67 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -71.73 169.25 16.07 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 115.682 1.734 . . . . 25.0 115.682 -171.532 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.19 132.74 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 115.575 1.695 . . . . 25.0 115.575 176.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.2 mmtm -136.71 -168.37 2.25 Favored 'General case' 0 C--O 1.221 -0.436 0 N-CA-C 107.351 -1.351 . . . . 25.0 107.351 -177.739 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 50.9 mt -109.11 109.21 27.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.54 -1.652 . . . . 25.0 106.54 -177.85 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -132.42 134.48 45.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.665 -0.698 . . . . 25.0 109.632 -178.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -154.89 151.21 28.29 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.973 -0.38 . . . . 25.0 109.973 -178.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -146.49 43.19 1.19 Allowed 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 106.957 -1.497 . . . . 25.0 106.957 168.47 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 27.3 mm -82.76 61.75 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 N-CA-C 107.112 -1.44 . . . . 25.0 107.112 -178.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -78.72 28.67 0.2 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.459 -1.246 . . . . 25.0 114.019 -173.22 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 . . . . . 0 C--O 1.211 -0.944 0 CA-C-O 125.041 2.353 . . . . 25.0 110.851 -177.814 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.503 2.221 0 N-CA-C 115.691 1.737 . . . . 25.0 115.691 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 59.61 -176.12 0.1 Allowed 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 113.777 -1.556 . . . . 25.0 111.382 -177.044 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 61.3 mm-40 -150.32 156.4 41.46 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 105.436 -2.061 . . . . 25.0 105.436 178.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.7 m -86.47 140.26 30.12 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 176.474 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -159.24 164.54 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.568 -0.901 . . . . 25.0 108.568 179.457 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.0 m -148.04 151.62 36.02 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 105.795 -1.928 . . . . 25.0 105.795 175.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.1 m -122.78 83.45 49.29 Favored Pre-proline 0 C--N 1.325 -0.46 0 N-CA-C 112.31 0.485 . . . . 25.0 112.31 -176.232 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -72.52 160.28 47.04 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 116.844 -1.637 . . . . 25.0 110.613 176.716 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.11 40.89 3.17 Favored Glycine 0 C--N 1.315 -0.614 0 N-CA-C 107.501 -2.24 . . . . 25.0 107.501 -173.798 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -72.09 41.45 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.808 1.643 . . . . 25.0 114.493 -174.285 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -93.21 2.96 8.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 123.331 1.539 . . . . 25.0 110.535 -177.131 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.1 t -70.55 154.91 41.38 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 113.816 -1.538 . . . . 25.0 112.239 -178.753 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -128.87 7.07 5.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.817 -1.083 . . . . 25.0 108.233 176.866 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 m 49.5 58.56 17.62 Favored Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 114.772 -1.103 . . . . 25.0 113.783 -174.347 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -67.63 -23.74 42.4 Favored 'Trans proline' 0 C--N 1.352 0.711 0 C-N-CA 117.498 -1.202 . . . . 25.0 113.987 -177.275 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -63.63 -16.23 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.408 -0.36 . . . . 25.0 111.699 178.314 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -114.1 -32.89 1.92 Allowed Glycine 0 N--CA 1.443 -0.896 0 C-N-CA 121.084 -0.579 . . . . 25.0 113.161 179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.78 -38.97 53.1 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.282 -0.266 . . . . 25.0 110.282 -177.247 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -83.26 -37.1 23.96 Favored 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 -179.325 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -112.17 82.88 4.65 Favored Pre-proline 0 N--CA 1.435 -1.197 0 N-CA-C 116.03 1.863 . . . . 25.0 116.03 -173.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.628 ' HB3' HD22 ' A' ' 61' ' ' LEU . 33.7 Cg_endo -63.62 -24.44 69.65 Favored 'Trans proline' 0 C--O 1.216 -0.623 0 C-N-CA 117.976 -0.883 . . . . 25.0 112.789 173.77 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.94 82.51 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.715 -0.476 . . . . 25.0 109.715 -178.814 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.1 mt -68.56 -45.68 71.48 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 109.89 -0.411 . . . . 25.0 109.89 178.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.79 -39.77 95.06 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.852 -0.339 . . . . 25.0 111.456 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -58.77 -45.11 90.52 Favored 'General case' 0 CA--C 1.509 -0.604 0 N-CA-C 108.258 -1.016 . . . . 25.0 108.258 176.491 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -68.96 -42.52 76.51 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.548 -0.461 . . . . 25.0 111.252 -174.94 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 44.2 ttp -62.02 -42.52 99.26 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 122.771 0.428 . . . . 25.0 111.144 177.391 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 36.9 mt -65.9 -42.82 89.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.88 0.371 . . . . 25.0 110.874 -179.488 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 33.1 mt -62.49 -38.23 89.07 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.251 0.548 . . . . 25.0 110.251 179.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.84 -15.64 59.66 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.541 -0.754 . . . . 25.0 112.27 -179.173 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -109.07 97.08 23.25 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.029 0.442 . . . . 25.0 111.642 -174.856 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -64.73 -25.61 61.06 Favored 'Trans proline' 0 C--N 1.346 0.415 0 N-CA-C 114.961 1.1 . . . . 25.0 114.961 -175.226 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -75.95 -42.25 49.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.14 0.495 . . . . 25.0 110.951 178.879 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -72.59 -43.9 62.74 Favored 'General case' 0 C--O 1.209 -1.075 0 N-CA-C 108.829 -0.804 . . . . 25.0 108.829 -175.277 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 35' ' ' LEU . 0.2 OUTLIER -58.3 -30.16 66.43 Favored 'General case' 0 C--N 1.319 -0.756 0 O-C-N 121.845 -0.534 . . . . 25.0 111.367 177.359 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.4 t -74.66 -39.94 61.74 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 123.738 0.815 . . . . 25.0 111.298 179.301 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 pp -71.74 -33.59 68.82 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 177.909 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.6 tp -60.52 -46.54 89.77 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 115.15 -0.932 . . . . 25.0 111.532 -179.481 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -65.94 -26.14 67.45 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.241 0.83 . . . . 25.0 113.241 174.745 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -82.74 -45.17 14.74 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.572 0.582 . . . . 25.0 112.572 178.35 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.0 mmp_? -89.23 -31.4 17.92 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 114.639 1.348 . . . . 25.0 114.639 -176.445 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 29.8 t-20 -136.58 64.44 51.38 Favored Pre-proline 0 C--N 1.323 -0.579 0 N-CA-C 113.122 0.786 . . . . 25.0 113.122 -177.037 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -54.62 -34.33 82.73 Favored 'Trans proline' 0 CA--C 1.549 1.251 0 N-CA-C 118.725 2.548 . . . . 25.0 118.725 -177.293 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -68.42 -33.49 23.04 Favored 'Trans proline' 0 C--N 1.361 1.204 1 C-N-CA 112.525 -4.516 . . . . 25.0 115.426 178.57 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.6 tp -75.26 -33.59 61.28 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -61.62 -49.33 77.04 Favored 'General case' 0 C--O 1.202 -1.418 0 CA-C-O 118.439 -0.791 . . . . 25.0 112.281 179.734 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -61.96 -31.51 71.85 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.585 1.084 . . . . 25.0 110.775 -176.106 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.491 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -63.9 -43.18 96.74 Favored 'General case' 0 N--CA 1.436 -1.137 0 CA-C-N 115.31 -0.859 . . . . 25.0 110.067 176.176 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -68.09 -43.37 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.698 179.01 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 19.2 mt -64.49 -33.06 75.0 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.394 0.616 . . . . 25.0 110.599 -173.556 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.42 ' HB2' ' HD3' ' A' ' 56' ' ' LYS . 65.7 m -73.18 -21.97 60.57 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.288 -0.869 . . . . 25.0 112.074 -178.067 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.64 -20.3 32.2 Favored Glycine 0 CA--C 1.516 0.143 0 N-CA-C 114.896 0.718 . . . . 25.0 114.896 177.884 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -66.62 119.25 11.41 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-N 118.164 0.982 . . . . 25.0 111.481 -178.394 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -67.5 -35.11 78.5 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.106 -0.638 . . . . 25.0 109.846 179.233 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -57.97 -46.58 84.91 Favored 'General case' 0 C--N 1.32 -0.706 0 C-N-CA 119.837 -0.745 . . . . 25.0 111.084 178.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.491 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 18.7 ptmt -70.68 -37.44 73.64 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 109.206 -0.664 . . . . 25.0 109.206 -179.569 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -62.47 -49.85 73.78 Favored 'General case' 0 C--O 1.213 -0.845 0 C-N-CA 120.298 -0.561 . . . . 25.0 111.371 178.173 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 46.2 t -67.02 -38.89 86.74 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 112.794 0.665 . . . . 25.0 112.794 -179.127 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -65.77 -45.08 83.86 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.529 -0.545 . . . . 25.0 109.529 -178.703 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 87.4 t -67.17 -34.27 68.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.209 -0.663 . . . . 25.0 109.209 177.463 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.628 HD22 ' HB3' ' A' ' 21' ' ' PRO . 4.7 tp -53.84 -43.53 69.56 Favored 'General case' 0 C--O 1.221 -0.433 0 O-C-N 122.157 -0.34 . . . . 25.0 110.833 177.661 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.7 t -66.74 -44.83 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 CA-C-N 117.994 0.361 . . . . 25.0 111.167 177.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -60.0 -37.7 80.44 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.716 0.77 . . . . 25.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.8 mm-40 -68.79 -44.51 73.45 Favored 'General case' 0 C--O 1.198 -1.656 0 CA-C-O 118.375 -0.821 . . . . 25.0 110.651 175.736 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -57.92 -40.84 81.39 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 119.927 1.239 . . . . 25.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -62.22 -39.64 93.46 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.509 0.671 . . . . 25.0 110.533 178.581 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -78.06 -36.5 48.31 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.68 0.753 . . . . 25.0 112.356 -178.234 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -65.83 -36.49 83.61 Favored 'General case' 0 C--O 1.214 -0.802 0 N-CA-C 109.174 -0.676 . . . . 25.0 109.174 -179.392 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.06 -31.02 60.83 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.069 0.461 . . . . 25.0 111.943 176.705 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 53.8 mtm180 -74.44 -31.37 62.25 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.115 -0.366 . . . . 25.0 111.425 178.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -81.15 -30.67 34.4 Favored 'General case' 0 C--O 1.216 -0.693 0 CA-C-O 120.829 0.347 . . . . 25.0 110.729 177.527 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.56 -30.86 44.04 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.743 -0.662 . . . . 25.0 112.499 -179.424 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -58.16 -40.49 81.53 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 116.132 -0.485 . . . . 25.0 111.162 176.782 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -75.18 -35.63 61.54 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 172.179 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -63.18 -27.83 69.63 Favored 'General case' 0 C--O 1.209 -1.052 0 N-CA-C 114.555 1.317 . . . . 25.0 114.555 -172.444 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 35.1 pt -64.77 -18.82 24.22 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.926 0 CA-C-O 121.543 0.687 . . . . 25.0 112.342 176.611 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 20.1 ttp-105 -76.92 -10.54 59.44 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 115.366 -0.834 . . . . 25.0 111.021 175.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.3 tp -118.85 167.0 12.12 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 105.429 -2.063 . . . . 25.0 105.429 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -71.35 -30.12 65.78 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 112.857 0.688 . . . . 25.0 112.857 -175.929 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 33.6 m 47.08 47.92 15.87 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 114.418 -1.265 . . . . 25.0 112.344 -179.921 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.41 54.97 2.14 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.048 0.939 . . . . 25.0 109.835 -178.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -62.63 119.79 53.95 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 114.741 -1.118 . . . . 25.0 108.309 -177.675 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -90.3 -174.36 0.77 Allowed 'Trans proline' 0 CA--C 1.536 0.588 0 N-CA-C 115.193 1.19 . . . . 25.0 115.193 -172.057 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 72.94 23.65 2.74 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.913 1.82 . . . . 25.0 115.913 169.342 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -87.21 63.93 8.07 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 105.942 -1.873 . . . . 25.0 105.942 169.281 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.82 -34.88 72.16 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 114.938 -1.028 . . . . 25.0 110.597 -173.892 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -80.89 -48.99 11.59 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.407 0.622 . . . . 25.0 109.507 175.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 52.37 24.19 2.81 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 114.047 -1.433 . . . . 25.0 113.201 -174.758 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -78.87 165.71 23.22 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 109.606 -0.516 . . . . 25.0 109.606 178.479 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -132.48 161.12 34.53 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 122.216 0.206 . . . . 25.0 110.748 -178.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 6.2 tttt 59.29 179.74 0.08 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.099 1.36 . . . . 25.0 114.14 178.487 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 85.5 mt -131.16 118.9 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 104.54 -2.393 . . . . 25.0 104.54 178.861 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.98 160.08 23.4 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 110.261 -0.274 . . . . 25.0 110.261 -178.27 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -148.09 126.1 12.06 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 174.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -114.23 40.49 2.5 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 122.352 1.072 . . . . 25.0 108.394 175.238 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.0 pt -72.61 24.02 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.782 0 N-CA-C 114.729 1.381 . . . . 25.0 114.729 -176.069 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.2 ptt85 -82.94 2.67 33.48 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 122.343 1.068 . . . . 25.0 112.27 178.628 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 C--N 1.312 -1.052 0 CA-C-O 125.18 2.419 . . . . 25.0 111.48 -177.074 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.507 2.388 0 CA-C-O 124.013 1.863 . . . . 25.0 114.151 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -89.72 125.64 35.35 Favored 'General case' 0 C--N 1.333 -0.126 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 175.149 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -142.69 -47.28 0.33 Allowed 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 -179.356 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.8 t 63.03 176.48 0.15 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.17 0.988 . . . . 25.0 111.634 -174.779 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -171.61 148.22 2.43 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 176.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m 62.64 122.58 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.821 1.786 . . . . 25.0 115.821 177.989 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.3 t -127.05 73.88 76.8 Favored Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 115.834 -0.621 . . . . 25.0 112.064 -179.252 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -78.45 164.65 26.1 Favored 'Trans proline' 0 C--N 1.347 0.499 0 CA-C-O 121.39 0.496 . . . . 25.0 112.624 179.306 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.37 27.44 4.45 Favored Glycine 0 C--O 1.227 -0.329 0 CA-C-N 115.292 -0.867 . . . . 25.0 111.105 -179.616 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -71.18 24.37 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 114.925 1.454 . . . . 25.0 114.925 -175.145 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 12.1 mm -87.29 7.16 2.78 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.258 0 C-N-CA 124.846 1.259 . . . . 25.0 110.971 -174.057 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 t -154.76 152.94 30.47 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.281 -0.872 . . . . 25.0 110.479 -179.381 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 79.0 p -151.79 107.35 3.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.337 . . . . 25.0 111.338 178.669 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.3 t 29.61 61.1 0.85 Allowed Pre-proline 0 N--CA 1.483 1.178 0 N-CA-C 116.076 1.88 . . . . 25.0 116.076 179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -68.64 -29.47 29.79 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 115.36 -2.627 . . . . 25.0 113.105 -177.459 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.65 -15.35 60.33 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 122.087 -0.383 . . . . 25.0 110.611 177.866 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.65 -18.24 75.91 Favored Glycine 0 C--O 1.227 -0.335 0 N-CA-C 111.433 -0.667 . . . . 25.0 111.433 -179.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.64 -37.55 70.85 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.766 -0.827 . . . . 25.0 108.766 176.029 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -78.83 -35.34 44.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.853 -1.067 . . . . 25.0 110.098 179.064 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -112.08 88.38 10.19 Favored Pre-proline 0 C--O 1.243 0.725 0 CA-C-N 115.104 -0.953 . . . . 25.0 111.793 179.375 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HB3' HD22 ' A' ' 61' ' ' LEU . 30.1 Cg_endo -60.15 -27.21 84.41 Favored 'Trans proline' 0 C--O 1.217 -0.562 0 C-N-CA 117.747 -1.035 . . . . 25.0 111.904 171.524 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.23 -46.95 87.1 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.63 0.253 . . . . 25.0 111.058 179.429 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -73.58 -41.51 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.546 -0.752 . . . . 25.0 110.782 -177.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 tp -65.77 -39.15 90.74 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.47 -0.492 . . . . 25.0 110.357 -179.118 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -43.21 93.05 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 175.592 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -64.87 -46.19 82.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.227 0.537 . . . . 25.0 111.201 -177.611 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 17.6 tmm? -60.67 -48.37 82.07 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.892 -0.595 . . . . 25.0 110.162 178.08 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.7 mt -60.71 -41.91 96.18 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 113.052 0.76 . . . . 25.0 113.052 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.8 mt -64.89 -34.63 78.85 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.565 -0.454 . . . . 25.0 110.445 179.388 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -80.5 -15.37 56.88 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.544 0.572 . . . . 25.0 112.544 179.854 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -109.62 102.18 49.02 Favored Pre-proline 0 C--O 1.235 0.304 0 N-CA-C 112.1 0.407 . . . . 25.0 112.1 -173.251 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -66.73 -25.07 46.72 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 N-CA-C 115.101 1.154 . . . . 25.0 115.101 -177.306 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -77.63 -44.35 28.48 Favored 'General case' 0 C--N 1.328 -0.35 0 O-C-N 121.726 -0.608 . . . . 25.0 110.839 179.49 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -37.83 76.77 Favored 'General case' 0 C--O 1.216 -0.667 0 N-CA-C 108.518 -0.919 . . . . 25.0 108.518 -175.922 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.66 -30.41 69.95 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.491 -0.756 . . . . 25.0 111.106 178.732 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.6 t -74.32 -46.75 38.94 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 122.642 0.377 . . . . 25.0 110.809 179.147 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 pp -65.05 -29.85 70.77 Favored 'General case' 0 CA--C 1.49 -1.336 0 C-N-CA 119.921 -0.712 . . . . 25.0 109.987 179.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 40.1 tp -69.67 -42.2 74.48 Favored 'General case' 0 N--CA 1.434 -1.274 0 N-CA-C 113.016 0.747 . . . . 25.0 113.016 179.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -67.06 -26.27 66.66 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 119.779 -0.768 . . . . 25.0 110.703 175.048 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -75.75 -53.42 8.54 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.683 0.253 . . . . 25.0 111.683 175.408 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.5 ptt180 -80.7 -29.47 36.46 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 116.07 1.878 . . . . 25.0 116.07 -175.643 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -139.09 69.22 41.72 Favored Pre-proline 0 C--N 1.313 -1.015 0 N-CA-C 114.324 1.231 . . . . 25.0 114.324 -176.489 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_endo -55.86 -35.76 94.4 Favored 'Trans proline' 0 CA--C 1.552 1.404 0 N-CA-C 118.424 2.432 . . . . 25.0 118.424 179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.05 -28.92 28.08 Favored 'Trans proline' 0 C--N 1.362 1.274 1 C-N-CA 112.519 -4.52 . . . . 25.0 115.817 178.016 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -75.49 -35.58 60.78 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 120.773 -1.204 . . . . 25.0 108.324 175.344 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.92 -49.17 77.24 Favored 'General case' 0 C--O 1.208 -1.094 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.203 179.19 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -59.29 -31.37 69.06 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.205 0.911 . . . . 25.0 111.384 -177.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.23 -40.23 96.87 Favored 'General case' 0 N--CA 1.438 -1.028 0 CA-C-O 121.092 0.472 . . . . 25.0 110.743 176.543 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.8 tp -70.75 -44.13 67.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.604 -0.726 . . . . 25.0 110.506 178.174 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -63.36 -29.7 70.96 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.781 0.801 . . . . 25.0 110.213 -175.715 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.41 ' HB3' ' HD3' ' A' ' 56' ' ' LYS . 15.4 t -76.31 -18.7 58.82 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.984 -1.007 . . . . 25.0 112.315 -178.114 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 89.78 -23.68 18.84 Favored Glycine 0 C--O 1.23 -0.143 0 N-CA-C 114.873 0.709 . . . . 25.0 114.873 174.667 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.416 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 29.3 t0 -68.83 114.66 7.36 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.989 0.423 . . . . 25.0 111.764 -178.052 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.74 -34.99 79.12 Favored 'General case' 0 C--O 1.215 -0.739 0 N-CA-C 108.714 -0.847 . . . . 25.0 108.714 176.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -57.81 -51.69 68.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.825 -0.35 . . . . 25.0 110.563 -178.698 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.416 ' HG2' ' HB3' ' A' ' 53' ' ' ASP . 15.2 ptmt -67.03 -35.44 79.9 Favored 'General case' 0 C--O 1.219 -0.512 0 C-N-CA 119.866 -0.734 . . . . 25.0 110.731 178.577 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -61.82 -50.27 72.96 Favored 'General case' 0 C--O 1.218 -0.561 0 C-N-CA 120.586 -0.446 . . . . 25.0 110.767 178.008 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 44.5 t -62.44 -43.0 99.87 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 123.067 0.547 . . . . 25.0 111.788 179.103 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.4 tmt_? -62.78 -45.31 93.25 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-N 116.247 -0.433 . . . . 25.0 110.228 -178.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.38 -32.44 46.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 179.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.5 HD22 ' HB3' ' A' ' 21' ' ' PRO . 1.8 tp -57.24 -47.56 81.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.924 -0.485 . . . . 25.0 111.861 179.436 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.57 -34.36 56.98 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 C-N-CA 120.06 -0.656 . . . . 25.0 111.048 -178.8 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -62.76 -43.39 98.94 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.805 0.812 . . . . 25.0 108.989 176.079 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -67.99 -33.46 74.67 Favored 'General case' 0 C--O 1.212 -0.886 0 CA-C-N 115.723 -0.672 . . . . 25.0 111.086 178.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -66.71 -38.65 87.16 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 118.758 0.708 . . . . 25.0 110.196 176.385 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -64.97 -39.16 93.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 122.191 -0.318 . . . . 25.0 110.893 178.629 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -75.98 -36.54 59.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.578 0.704 . . . . 25.0 110.561 179.356 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.4 mtt-85 -59.25 -43.41 92.45 Favored 'General case' 0 C--O 1.207 -1.161 0 N-CA-C 109.717 -0.475 . . . . 25.0 109.717 176.673 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -53.68 -30.71 44.71 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.992 0.367 . . . . 25.0 111.992 -176.71 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -70.4 -49.59 47.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.814 0.34 . . . . 25.0 110.761 178.597 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.4 ptt180 -81.19 -27.39 35.38 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 114.621 1.341 . . . . 25.0 114.621 -175.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -64.07 -27.58 69.2 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 120.661 0.267 . . . . 25.0 110.391 -176.35 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -54.45 -36.57 64.21 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.375 -0.375 . . . . 25.0 111.211 175.12 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -79.87 -36.45 36.62 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.911 0.386 . . . . 25.0 111.253 175.916 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -67.77 -34.6 77.12 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 112.897 0.703 . . . . 25.0 112.897 -174.129 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.5 pt -68.2 -15.23 19.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 C-N-CA 120.772 -0.371 . . . . 25.0 111.787 178.327 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -82.97 -30.17 28.47 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.65 0.982 . . . . 25.0 113.65 -179.758 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 12.9 tp -158.63 151.15 21.86 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.539 0.57 . . . . 25.0 112.539 -171.263 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 64.1 -167.6 0.21 Allowed 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.815 1.646 . . . . 25.0 112.577 -177.594 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.4 p -143.54 161.08 39.39 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 103.195 -2.891 . . . . 25.0 103.195 178.831 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -159.68 38.16 0.19 Allowed 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.145 -0.687 . . . . 25.0 109.145 -176.12 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.43 148.97 38.71 Favored Pre-proline 0 C--N 1.317 -0.839 0 CA-C-N 115.067 -0.969 . . . . 25.0 111.717 -167.227 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_endo -79.4 164.23 24.12 Favored 'Trans proline' 0 C--N 1.351 0.682 0 O-C-N 121.738 0.336 . . . . 25.0 112.041 178.737 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -119.36 14.0 12.82 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.969 0.89 . . . . 25.0 109.34 178.94 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -77.35 35.79 0.18 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.289 -0.869 . . . . 25.0 112.297 -177.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 46.1 mt -70.45 -32.76 70.46 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.488 -0.93 . . . . 25.0 108.488 -179.794 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -70.46 -19.28 62.97 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.614 -0.721 . . . . 25.0 111.426 176.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -82.58 -0.07 45.2 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 -177.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -91.12 132.81 35.82 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.188 0.518 . . . . 25.0 111.348 -178.212 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -135.31 165.14 26.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.947 -0.76 . . . . 25.0 108.947 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -81.94 159.26 23.64 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.739 -0.838 . . . . 25.0 108.739 177.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 65.9 mt -119.14 101.59 11.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 108.63 -0.878 . . . . 25.0 108.63 176.797 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -139.0 143.81 38.64 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 104.826 -2.287 . . . . 25.0 104.826 176.472 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -148.88 155.94 41.59 Favored 'General case' 0 C--O 1.243 0.753 0 N-CA-C 107.549 -1.278 . . . . 25.0 107.549 -178.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -128.26 -134.92 0.23 Allowed 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.721 -1.214 . . . . 25.0 107.721 174.395 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.9 mt 45.32 41.77 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 124.608 1.163 . . . . 25.0 109.983 -177.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -76.72 43.81 0.35 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 122.439 1.114 . . . . 25.0 113.929 -173.61 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 . . . . . 0 C--O 1.212 -0.898 0 CA-C-O 123.231 1.491 . . . . 25.0 112.077 177.428 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.497 1.881 0 CA-C-O 125.265 2.459 . . . . 25.0 112.444 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -131.32 73.24 1.53 Allowed 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 112.823 -1.989 . . . . 25.0 109.238 -179.371 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -127.57 170.01 13.1 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.853 -0.795 . . . . 25.0 108.853 -178.327 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.1 t 63.82 25.44 14.07 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.626 0.77 . . . . 25.0 111.394 -178.924 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.2 t60 -79.51 120.62 24.13 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.014 -0.736 . . . . 25.0 109.014 176.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 m 50.25 35.04 9.66 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.134 0.974 . . . . 25.0 111.564 -179.205 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 5.6 p -154.26 158.89 32.41 Favored Pre-proline 0 C--N 1.324 -0.543 0 N-CA-C 106.022 -1.844 . . . . 25.0 106.022 -177.008 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -74.71 179.0 6.42 Favored 'Trans proline' 0 CA--C 1.532 0.391 0 C-N-CA 117.315 -1.323 . . . . 25.0 112.568 -178.654 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.5 45.31 0.46 Allowed Glycine 0 C--O 1.223 -0.541 0 N-CA-C 110.383 -1.087 . . . . 25.0 110.383 -178.785 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.16 22.09 1.02 Allowed 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.997 1.11 . . . . 25.0 113.997 -174.753 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.421 HG13 ' H ' ' A' ' 11' ' ' ILE . 0.0 OUTLIER -81.38 20.92 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.426 -1.645 0 C-N-CA 125.526 1.53 . . . . 25.0 110.827 176.735 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 61.5 p -70.34 137.83 50.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.437 -0.801 . . . . 25.0 111.455 -172.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.9 t -156.02 159.79 39.47 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.279 -0.637 . . . . 25.0 109.279 -179.584 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.563 ' H ' ' HD2' ' A' ' 15' ' ' PRO . 5.1 p -143.38 -43.97 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 113.943 1.09 . . . . 25.0 113.943 176.846 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.563 ' HD2' ' H ' ' A' ' 14' ' ' SER . 94.3 Cg_endo -72.17 -25.91 18.49 Favored 'Trans proline' 0 C--N 1.36 1.141 1 C-N-CA 112.693 -4.405 . . . . 25.0 114.378 -178.645 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.85 -25.1 65.37 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.4 0.619 . . . . 25.0 109.698 177.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -86.73 2.97 87.35 Favored Glycine 0 C--O 1.226 -0.384 0 CA-C-N 116.05 -0.523 . . . . 25.0 113.758 179.466 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.34 -37.63 71.69 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.966 -0.753 . . . . 25.0 108.966 178.522 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -84.51 -26.59 27.99 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.038 0.923 . . . . 25.0 109.421 179.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -118.42 77.4 13.62 Favored Pre-proline 0 C--O 1.241 0.623 0 CA-C-N 115.34 -0.846 . . . . 25.0 113.115 179.461 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.697 ' HB3' HD22 ' A' ' 61' ' ' LEU . 36.7 Cg_endo -61.81 -31.32 85.35 Favored 'Trans proline' 0 C--O 1.215 -0.64 0 O-C-N 121.675 0.303 . . . . 25.0 112.104 174.442 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.45 -45.41 93.17 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.391 -0.193 . . . . 25.0 110.829 -179.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 69.6 mt -72.68 -38.41 67.58 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 110.086 -0.339 . . . . 25.0 110.086 -177.818 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 17.0 tp -65.8 -40.95 92.42 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.967 -0.293 . . . . 25.0 110.507 179.363 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -59.24 -44.68 92.34 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 108.58 -0.896 . . . . 25.0 108.58 176.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -43.55 93.91 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.089 -0.505 . . . . 25.0 112.357 -177.305 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 52.4 ttp -63.02 -43.48 98.59 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-O 120.996 0.426 . . . . 25.0 110.998 176.726 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.8 mt -65.23 -40.24 93.8 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.259 -0.428 . . . . 25.0 110.948 -178.822 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 29.6 mt -63.38 -33.34 75.33 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.94 0.4 . . . . 25.0 110.62 178.325 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.0 -16.38 47.42 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 113.37 0.878 . . . . 25.0 113.37 -178.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -113.35 107.38 53.63 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 113.32 0.859 . . . . 25.0 113.32 -171.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -66.83 -30.5 40.52 Favored 'Trans proline' 0 CA--C 1.536 0.602 0 N-CA-C 116.537 1.706 . . . . 25.0 116.537 -174.98 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 62.6 t60 -76.08 -37.39 58.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.643 1.211 . . . . 25.0 110.369 -179.364 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -76.3 -31.34 58.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.184 -0.917 . . . . 25.0 109.588 -174.812 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.92 -30.5 61.27 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.346 -0.388 . . . . 25.0 111.221 175.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 93.4 p -74.76 -40.25 61.32 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 122.259 -0.275 . . . . 25.0 111.268 -179.15 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.22 -31.76 73.08 Favored 'General case' 0 CA--C 1.488 -1.424 0 CA-C-O 122.094 0.949 . . . . 25.0 109.444 176.582 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 35.9 tp -67.19 -43.95 80.87 Favored 'General case' 0 N--CA 1.431 -1.41 0 CA-C-N 114.736 -1.12 . . . . 25.0 112.121 -177.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -68.2 -29.56 68.44 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 120.087 -0.645 . . . . 25.0 111.427 175.432 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -74.36 -51.93 13.64 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 112.236 0.458 . . . . 25.0 112.236 178.052 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.9 mtp180 -91.89 -23.69 19.55 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.812 1.782 . . . . 25.0 115.812 -174.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -135.97 66.3 61.07 Favored Pre-proline 0 N--CA 1.482 1.168 0 N-CA-C 114.261 1.208 . . . . 25.0 114.261 177.651 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -54.37 -35.18 83.5 Favored 'Trans proline' 0 CA--C 1.555 1.532 0 N-CA-C 118.912 2.62 . . . . 25.0 118.912 -178.336 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.17 -31.85 22.28 Favored 'Trans proline' 0 C--N 1.361 1.214 1 C-N-CA 112.653 -4.432 . . . . 25.0 115.728 178.16 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 42.2 tp -75.45 -31.34 60.27 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 108.02 -1.104 . . . . 25.0 108.02 175.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . . . -63.99 -49.38 72.69 Favored 'General case' 0 C--O 1.207 -1.166 0 CA-C-O 118.658 -0.687 . . . . 25.0 112.641 -179.993 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -32.14 70.27 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.153 0.888 . . . . 25.0 110.888 -176.448 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.533 ' HA ' ' HE2' ' A' ' 56' ' ' LYS . . . -62.69 -43.99 97.39 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.634 -0.712 . . . . 25.0 112.268 174.569 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -65.99 -43.38 87.94 Favored 'General case' 0 N--CA 1.44 -0.928 0 CA-C-N 115.315 -0.857 . . . . 25.0 109.865 179.352 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 46' ' ' ALA . 16.3 mt -63.41 -32.41 73.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.307 0.575 . . . . 25.0 110.668 -174.728 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.8 m -70.31 -24.61 63.04 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.529 -0.759 . . . . 25.0 111.88 -178.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 84.31 -15.63 38.77 Favored Glycine 0 CA--C 1.518 0.225 0 CA-C-N 116.312 -0.403 . . . . 25.0 112.224 -177.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.418 ' HB3' ' HG2' ' A' ' 56' ' ' LYS . 50.0 t0 -65.94 113.63 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.912 0.387 . . . . 25.0 110.95 -179.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -65.7 -36.3 83.24 Favored 'General case' 0 C--O 1.21 -1.021 0 N-CA-C 109.639 -0.504 . . . . 25.0 109.639 177.183 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -59.83 -52.04 67.13 Favored 'General case' 0 C--N 1.318 -0.788 0 O-C-N 121.894 -0.504 . . . . 25.0 110.866 -177.436 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HE2' ' HA ' ' A' ' 48' ' ' ALA . 9.0 ptmt -66.21 -36.5 83.2 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 118.727 -0.654 . . . . 25.0 109.378 179.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . 0.42 ' HA ' ' HB1' ' A' ' 48' ' ' ALA . 57.5 t80 -61.61 -52.08 65.84 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-N 118.383 0.538 . . . . 25.0 112.145 176.274 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.4 t -63.63 -38.45 91.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.157 0.503 . . . . 25.0 112.054 179.671 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -65.26 -48.58 72.72 Favored 'General case' 0 CA--C 1.513 -0.457 0 N-CA-C 109.695 -0.483 . . . . 25.0 109.695 -178.596 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.6 -29.26 33.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 -178.48 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 21' ' ' PRO . 2.9 tp -59.83 -47.72 84.56 Favored 'General case' 0 N--CA 1.466 0.343 0 O-C-N 121.782 -0.574 . . . . 25.0 111.206 178.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.6 p -72.19 -34.08 48.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 120.253 -0.579 . . . . 25.0 110.886 -178.821 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.41 -41.53 98.73 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.226 -0.657 . . . . 25.0 109.226 175.54 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 73.9 mm-40 -64.46 -38.75 92.11 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-O 119.275 -0.393 . . . . 25.0 110.751 176.044 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -61.61 -42.18 98.51 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 118.897 0.771 . . . . 25.0 110.615 178.163 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -64.15 -38.77 92.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.095 0.474 . . . . 25.0 110.73 179.845 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -75.55 -35.19 60.71 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.79 0.805 . . . . 25.0 111.324 -179.421 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -63.04 -41.34 99.48 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-N 116.054 -0.521 . . . . 25.0 110.392 178.957 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.56 -30.9 61.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.585 0.553 . . . . 25.0 111.941 -178.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 89.9 mtt-85 -66.74 -49.55 65.62 Favored 'General case' 0 C--O 1.222 -0.36 0 CA-C-O 121.011 0.434 . . . . 25.0 111.402 179.45 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -79.75 -26.53 40.72 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.358 0.503 . . . . 25.0 112.358 -177.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.81 -30.62 45.85 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.388 0.514 . . . . 25.0 112.388 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -57.29 -36.52 71.16 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 121.271 0.558 . . . . 25.0 111.628 177.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -75.19 -36.14 61.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.706 0.765 . . . . 25.0 109.938 177.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 5.8 mpt_? -68.86 -37.55 79.16 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 112.825 0.676 . . . . 25.0 112.825 -176.78 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.5 pt -71.9 -18.72 19.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 C-N-CA 120.778 -0.369 . . . . 25.0 111.563 179.065 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.29 -24.33 54.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.552 0.215 . . . . 25.0 110.54 176.795 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 mt -73.38 169.42 17.2 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 122.228 -0.295 . . . . 25.0 111.347 -177.294 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 55.51 -146.77 0.55 Allowed 'General case' 0 C--O 1.214 -0.773 0 N-CA-C 107.648 -1.242 . . . . 25.0 107.648 -174.119 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 m 52.45 47.22 25.17 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 119.07 0.85 . . . . 25.0 111.552 179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . 78.1 14.96 1.47 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 126.529 1.931 . . . . 25.0 115.737 -178.278 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.85 166.33 12.1 Favored Pre-proline 0 C--O 1.245 0.84 0 N-CA-C 103.316 -2.846 . . . . 25.0 103.316 164.603 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -67.78 164.25 32.18 Favored 'Trans proline' 0 C--N 1.349 0.605 0 N-CA-C 115.909 1.465 . . . . 25.0 115.909 -173.731 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -110.74 -4.6 15.25 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-O 123.467 1.603 . . . . 25.0 111.485 -177.199 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -102.13 41.93 1.18 Allowed 'General case' 0 C--N 1.302 -1.482 0 CA-C-N 112.188 -2.278 . . . . 25.0 107.601 -176.395 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.31 -34.25 74.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.726 -1.124 . . . . 25.0 111.889 179.301 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -84.53 -51.06 7.17 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 120.765 -0.374 . . . . 25.0 110.559 176.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 51.18 6.77 0.03 OUTLIER 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 118.715 2.857 . . . . 25.0 118.715 178.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -90.82 9.91 28.31 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 114.402 1.26 . . . . 25.0 114.402 -175.551 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 49.02 103.26 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 113.356 -1.747 . . . . 25.0 115.011 -177.604 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.4 pttt -67.52 150.46 48.82 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 114.498 -1.228 . . . . 25.0 111.893 -176.486 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 91.8 mt -129.24 121.49 53.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 102.899 -3.0 . . . . 25.0 102.899 174.241 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -134.09 166.43 22.77 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.57 -1.27 . . . . 25.0 107.57 -176.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.6 pt-20 -123.09 153.14 40.32 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.016 -1.105 . . . . 25.0 108.016 176.887 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -124.26 68.89 1.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.664 -0.865 . . . . 25.0 108.664 178.072 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.6 mm -83.99 54.26 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 122.558 1.171 . . . . 25.0 108.25 -178.48 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 49.4 mtt85 -82.96 45.56 1.02 Allowed 'General case' 0 C--O 1.22 -0.457 0 CA-C-O 122.723 1.249 . . . . 25.0 108.286 175.967 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--O 1.21 -0.999 0 CA-C-O 123.984 1.849 . . . . 25.0 111.576 -179.101 . . . . . . . . 0 0 . 1 stop_ save_